Basic information
- Standard SMILES
O=C(O)C=Cc1cc(F)c(F)cc1F- InChIKey
KFVQEUPEGKJFCW-UHFFFAOYSA-N- Molecular formula
- C9H5F3O2
- Average molar mass
- 202.13 g/mol
- Monoisotopic mass
- 202.02416388
Names & identifiers
- Preferred name
- 3-(2,4,5-trifluorophenyl)prop-2-enoic Acid
- IUPAC
- 3-(2,4,5-trifluorophenyl)prop-2-enoic acid
Names & synonyms
3-(2,4,5-trifluorophenyl)prop-2-enoic Acid3-(2,4,5-Trifluorophenyl)acrylic acidMFCD00061211(E)-3-(2,4,5-Trifluorophenyl)acrylicacidSCHEMBL4715190KFVQEUPEGKJFCW-UHFFFAOYSA-NAKOS026675621PS-81913-(2,4,5-trifluoro-phenyl)-acrylic acid3-(2,4,5-Trifluorophenyl)acrylic acid, 3-(2,4,5-Trifluorophenyl)prop-2-enoic acid
Database identifiers
- PubChem CID
- 2777098
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
2 records
Compound notes
Loading…