Basic information
- Standard SMILES
C[C@H](Nc1ccc(F)c(F)c1F)C(=O)O- InChIKey
BLWNMSFNFCTGAK-BYPYZUCNSA-N- Molecular formula
- C9H8F3NO2
- Average molar mass
- 219.16 g/mol
Names & identifiers
- Preferred name
- (2S)-2-(2,3,4-trifluoroanilino)propionic acid
- IUPAC
- (2S)-2-(2,3,4-trifluoroanilino)propanoic acid
Names & synonyms
SCHEMBL2331329BLWNMSFNFCTGAK-BYPYZUCNSA-N(2S)-2-(2,3,4-trifluoroanilino)propionic acid
Database identifiers
- PubChem CID
- 67366567
- Nikkaji
- J2.230.824F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
14 records
Compound notes
Loading…