Basic information
- Standard SMILES
O=C(O)CC(=O)c1cccc(C(F)(F)F)c1- InChIKey
ODTVKMNSRRLGQP-UHFFFAOYSA-N- Molecular formula
- C10H7F3O3
- Average molar mass
- 232.16 g/mol
- Monoisotopic mass
- 232.03472857
Names & identifiers
- Preferred name
- Benzenepropanoic acid, beta-oxo-3-(trifluoromethyl)-
- IUPAC
- 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoic acid
Names & synonyms
335256-27-43-Oxo-3-(3-(trifluoromethyl)phenyl)propanoic acidBenzenepropanoic acid, beta-oxo-3-(trifluoromethyl)-SCHEMBL14210243-oxo-3-(3-trifluoromethyl-phenyl)-propionic acid
Database identifiers
- PubChem CID
- 17819988
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
4 records
Compound notes
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