Basic information
- Standard SMILES
C[C@@H](O)[C@H](N)c1ccc(F)c(F)c1.Cl- InChIKey
QMOUENWXGNKOIB-GNXIYFAASA-N- Molecular formula
- C9H12ClF2NO
- Average molar mass
- 223.65 g/mol
- Monoisotopic mass
- 223.057548
Names & identifiers
- Preferred name
- (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol hydrochloride
- IUPAC
- (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
Names & synonyms
SCHEMBL4345264QMOUENWXGNKOIB-GNXIYFAASA-N(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol hydrochloride
Database identifiers
- PubChem CID
- 69010360
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Related reactions
2 records
Compound notes
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