Basic information
- Standard SMILES
Cl.N[C@@H](C(=O)O)[C@H](OCc1ccccc1)C(F)(F)F- InChIKey
INNUCGABFOJLRQ-RJUBDTSPSA-N- Molecular formula
- C11H13ClF3NO3
- Average molar mass
- 299.67 g/mol
- Monoisotopic mass
- 299.0536055
Names & identifiers
- Preferred name
- (2R,3S)-2-amino-3-(benzyloxy)-4,4,4-trifluorobutanoic acid hydrochloride salt
- IUPAC
- (2R,3S)-2-amino-4,4,4-trifluoro-3-phenylmethoxybutanoic acid;hydrochloride
Names & synonyms
(2R,3S)-2-amino-3-(benzyloxy)-4,4,4-trifluorobutanoic acid hydrochloride saltSCHEMBL222712
Database identifiers
- PubChem CID
- 49800574
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Related reactions
2 records
Compound notes
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