1-Methyl-3-(trifluoroacetyl)-1H-indole
1-Methyl-3-(trifluoroacetyl)-1H-indole structure
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Common Name | 1-Methyl-3-(trifluoroacetyl)-1H-indole | ||
|---|---|---|---|---|
| CAS Number | 318-54-7 | Molecular Weight | 227.18300 | |
| Density | 1.3g/cm3 | Boiling Point | 299.8ºC at 760mmHg | |
| Molecular Formula | C11H8F3NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 135.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3g/cm3 |
|---|---|
| Boiling Point | 299.8ºC at 760mmHg |
| Molecular Formula | C11H8F3NO |
| Molecular Weight | 227.18300 |
| Flash Point | 135.1ºC |
| Exact Mass | 227.05600 |
| PSA | 22.00000 |
| LogP | 2.92330 |
| Index of Refraction | 1.52 |
| InChIKey | ICMIXFPYWFUAAL-UHFFFAOYSA-N |
| SMILES | Cn1cc(C(=O)C(F)(F)F)c2ccccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
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| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~82%
1-Methyl-3-(tri... CAS#:318-54-7 |
| Literature: Hassinger, Heidi L.; Soll, Richard M.; Gribble, Gordon W. Tetrahedron Letters, 1998 , vol. 39, # 20 p. 3095 - 3098 |
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~%
1-Methyl-3-(tri... CAS#:318-54-7 |
| Literature: Monsanto Company Patent: US5994270 A1, 1999 ; |
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~76%
1-Methyl-3-(tri... CAS#:318-54-7 |
| Literature: Kiselyov, Alexander S. Tetrahedron Letters, 1995 , vol. 36, # 23 p. 4005 - 4008 |
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~%
1-Methyl-3-(tri... CAS#:318-54-7 |
| Literature: Wang, Shuai; Nie, Jing; Zheng, Yan; Ma, Jun-An Organic Letters, 2014 , vol. 16, # 6 p. 1606 - 1609 |
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~%
1-Methyl-3-(tri... CAS#:318-54-7 |
| Literature: Whalley Journal of the Chemical Society, 1954 , p. 1651 |
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~%
1-Methyl-3-(tri... CAS#:318-54-7 |
| Literature: Whalley Journal of the Chemical Society, 1954 , p. 1651 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
CAS#:32387-21-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,2,2-trifluoro-1-(1-methyl-indol-3-yl)-ethanone |
| 1-methyl-3-trifluoroacetyl-1H-indole |
| 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethanone |
| 2,2,2-Trifluor-1-(1-methyl-indol-3-yl)-aethanon |
| N-methyl-3-trifluoroacetylindole |
| HMS2306K13 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: The English name of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone is 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone. |
| Q: What is the SMILES notation of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: SMILES notation of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)C(F)(F)F)c2ccccc21. |
| Q: What is the molecular weight of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: Molecular weight of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone is 227.18300. |
| Q: What are the downstream products of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: Related downstream products(CAS) of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone: 32387-21-6. |
| Q: What English synonyms does 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone have? |
| A: English synonyms of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone: 2,2,2-trifluoro-1-(1-methyl-indol-3-yl)-ethanone, 1-methyl-3-trifluoroacetyl-1H-indole, 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethanone, 2,2,2-Trifluor-1-(1-methyl-indol-3-yl)-aethanon, N-methyl-3-trifluoroacetylindole, HMS2306K13. |
| Q: What is the InChIKey of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: InChIKey of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone is ICMIXFPYWFUAAL-UHFFFAOYSA-N. |
| Q: What is the boiling point of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: Boiling point of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone is 299.8ºC at 760mmHg. |
| Q: What is the LogP of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: LogP of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone is 2.92330. |
| Q: What is the molecular formula of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: Molecular formula of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone is C11H8F3NO. |
| Q: What is the polar surface area (PSA) of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone? |
| A: Polar surface area (PSA) of 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone is 22.00000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |