Basic information
- Standard SMILES
CC(C)(C)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O- InChIKey
UEOFLWMLRZARIG-NSHDSACASA-N- Molecular formula
- C14H15F3N2O2
- Average molar mass
- 300.28 g/mol
Names & identifiers
- Preferred name
- (R)-2-(4-cyano-3-(trifluoromethyl)phenylamino)-3,3-dimethylbutanoic acid
- IUPAC
- (2R)-2-[4-cyano-3-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid
Names & synonyms
(R)-2-(4-cyano-3-(trifluoromethyl)phenylamino)-3,3-dimethylbutanoic acidSCHEMBL253611
Database identifiers
- PubChem CID
- 66634147
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
Related reactions
1 records
Compound notes
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