Basic information
- Standard SMILES
CC(O)C(Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O- InChIKey
KIXUDDJBUMRCHZ-UHFFFAOYSA-N- Molecular formula
- C12H11F3N2O3
- Average molar mass
- 288.22 g/mol
Names & identifiers
- Preferred name
- 2-[4-Cyano-3-(trifluoromethyl)anilino]-3-hydroxybutanoic acid
- IUPAC
- 2-[4-cyano-3-(trifluoromethyl)anilino]-3-hydroxybutanoic acid
Names & synonyms
SCHEMBL1291418
Database identifiers
- PubChem CID
- 66980927
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Related reactions
2 records
Compound notes
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