Basic information
- Standard SMILES
COc1cccc(CNC[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1.O=C(O)C(F)(F)F- InChIKey
LCSBZUSJYOALCV-CJRXIRLBSA-N- Molecular formula
- C20H23F5N2O4
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 450.15779803
Names & identifiers
- Preferred name
- (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxybenzyl)amino]-2-butanol Trifluoroacetate
- IUPAC
- (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol;2,2,2-trifluoroacetic acid
Names & synonyms
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxybenzyl)amino]-2-butanol TrifluoroacetateSCHEMBL6695170
Database identifiers
- PubChem CID
- 69869154
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 435
Related reactions
63 records
Compound notes
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