diethyl 2-fluoro-2-phenylpropanedioate
diethyl 2-fluoro-2-phenylpropanedioate structure
|
Common Name | diethyl 2-fluoro-2-phenylpropanedioate | ||
|---|---|---|---|---|
| CAS Number | 2802-98-4 | Molecular Weight | 254.25400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H15FO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: Diethyl 2-fluoro-2-phenylpropanedioate, Chinese name 二乙基2-氟-2-苯基丙二酸酯, CAS number 2802-98-4, molecular formula C13H15FO4, molecular weight 254.25400. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | diethyl 2-fluoro-2-phenylpropanedioate |
|---|---|
| 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.
| Molecular Formula | C13H15FO4 |
|---|---|
| Molecular Weight | 254.25400 |
| Exact Mass | 254.09500 |
| PSA | 52.60000 |
| LogP | 1.97760 |
| InChIKey | MJGKXSYZACBTDZ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(F)(C(=O)OCC)c1ccccc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 1 | |
CAS#:83-13-6
CAS#:108-86-1
CAS#:685-88-1
CAS#:643-77-6
CAS#:541-41-3
CAS#:107263-95-6
CAS#:107263-98-9
CAS#:2882-19-1
CAS#:1578-63-8This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: ULK1_INH_LUMI_1536_1X%INH PRUN
|
|
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
|
|
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
|
|
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| diethyl fluoro(phenyl)-malonate |
| fluoro-phenyl-malonic acid diethyl ester |
| diethyl 2-fluoro-2-phenylmalonate |
| 2-fluoro-2-phenyl-malonic acid diethyl ester |
| Propanedioic acid,fluorophenyl-,diethyl ester |
| Fluor-phenyl-malonsaeure-diaethylester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of diethyl 2-fluoro-2-phenylpropanedioate? |
| A: InChIKey of diethyl 2-fluoro-2-phenylpropanedioate is MJGKXSYZACBTDZ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of diethyl 2-fluoro-2-phenylpropanedioate? |
| A: Polar surface area (PSA) of diethyl 2-fluoro-2-phenylpropanedioate is 52.60000. |
| Q: What is the molecular formula of diethyl 2-fluoro-2-phenylpropanedioate? |
| A: Molecular formula of diethyl 2-fluoro-2-phenylpropanedioate is C13H15FO4. |
| Q: What is the SMILES notation of diethyl 2-fluoro-2-phenylpropanedioate? |
| A: SMILES notation of diethyl 2-fluoro-2-phenylpropanedioate is CCOC(=O)C(F)(C(=O)OCC)c1ccccc1. |
| Q: What are the downstream products of diethyl 2-fluoro-2-phenylpropanedioate? |
| A: Related downstream products(CAS) of diethyl 2-fluoro-2-phenylpropanedioate: 1578-63-8. |
| Q: What is the molecular weight of diethyl 2-fluoro-2-phenylpropanedioate? |
| A: Molecular weight of diethyl 2-fluoro-2-phenylpropanedioate is 254.25400. |
| Q: What is the Chinese name of 2802-98-4? |
| A: Chinese name of 2802-98-4 is 2802-98-4. |
| Q: What are the upstream materials of diethyl 2-fluoro-2-phenylpropanedioate? |
| A: Related upstream materials(CAS) of diethyl 2-fluoro-2-phenylpropanedioate: 83-13-6;108-86-1;685-88-1;643-77-6;541-41-3;107263-95-6;107263-98-9;2882-19-1. |
| Q: What English synonyms does diethyl 2-fluoro-2-phenylpropanedioate have? |
| A: English synonyms of diethyl 2-fluoro-2-phenylpropanedioate: diethyl fluoro(phenyl)-malonate, fluoro-phenyl-malonic acid diethyl ester, diethyl 2-fluoro-2-phenylmalonate, 2-fluoro-2-phenyl-malonic acid diethyl ester, Propanedioic acid,fluorophenyl-,diethyl ester, Fluor-phenyl-malonsaeure-diaethylester. |
| Q: What is the CAS number of diethyl 2-fluoro-2-phenylpropanedioate? |
| A: CAS number of diethyl 2-fluoro-2-phenylpropanedioate is 2802-98-4. |