Basic information
- Standard SMILES
COC(=O)[C@@H](N)CCC(c1ccccc1)C(F)(F)F- InChIKey
BDVVNOKAJFPIAX-DTIOYNMSSA-N- Molecular formula
- C13H16F3NO2
- Average molar mass
- 275.27 g/mol
Names & identifiers
- Preferred name
- (S)-2-Amino-6,6,6-trifluoro-5-phenyl-hexanoic acid methyl ester
- IUPAC
- methyl (2S)-2-amino-6,6,6-trifluoro-5-phenylhexanoate
Names & synonyms
(S)-2-Amino-6,6,6-trifluoro-5-phenyl-hexanoic acid methyl esterSCHEMBL1832150
Database identifiers
- PubChem CID
- 67177271
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
Related reactions
6 records
Compound notes
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