Basic information
- CAS
2802-98-4- Standard SMILES
CCOC(=O)C(F)(C(=O)OCC)c1ccccc1- InChIKey
MJGKXSYZACBTDZ-UHFFFAOYSA-N- Molecular formula
- C13H15FO4
- Average molar mass
- 254.25 g/mol
- Monoisotopic mass
- 254.09543718
Names & identifiers
- Preferred name
- Diethyl 2-fluoro-2-phenylmalonate
- IUPAC
- diethyl 2-fluoro-2-phenylpropanedioate
Names & synonyms
2802-98-4diethyl 2-fluoro-2-phenylmalonate1,3-DIETHYL 2-FLUORO-2-PHENYLPROPANEDIOATEdiethyl 2-fluoro-2-phenylpropanedioatediethyl fluoro(phenyl)malonateC6H5CF(COOCH2CH3)2diethyl fluoro(phenyl)-malonatediethyl phenyl-2-fluoromalonateSCHEMBL5010275DTXSID70401181MJGKXSYZACBTDZ-UHFFFAOYSA-NDiethyl fluoro(phenyl)propanedioate
Show more names
2-fluoro-2-phenyl-malonic acid diethyl esterEN300-101444G462471,3-DIETHYL2-FLUORO-2-PHENYLPROPANEDIOATESR-01000385787SR-01000385787-1
Database identifiers
- CAS
2802-98-4- PubChem CID
- 4246642
- DTXSID
DTXSID70401181- Nikkaji
- J316.909J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Related reactions
9 records
Compound notes
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