Basic information
- CAS
169232-10-4- Standard SMILES
O=C(C=Cc1ccc(F)c(F)c1)OCCc1ccccc1- InChIKey
TVFXDGFEJIQXBY-UHFFFAOYSA-N- Molecular formula
- C17H14F2O2
- Average molar mass
- 288.29 g/mol
- Monoisotopic mass
- 288.09618613
Names & identifiers
- Preferred name
- 3,4-Difluorocinnamic acid beta-phenylethyl ester
- IUPAC
- 2-phenylethyl 3-(3,4-difluorophenyl)prop-2-enoate
Names & synonyms
3,4-Difluorocinnamic acid beta-phenylethyl ester2-phenylethyl 3-(3,4-difluorophenyl)prop-2-enoateSCHEMBL8925767TVFXDGFEJIQXBY-UHFFFAOYSA-NDTXSID301234728169232-10-4NCI60_0251352-Phenylethyl 3-(3,4-difluorophenyl)-2-propenoate
Database identifiers
- CAS
169232-10-4- PubChem CID
- 383145
- DTXSID
DTXSID301234728
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
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