Basic information
- Standard SMILES
NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(O)cc1- InChIKey
GYNQPOZBVYRKRK-UHFFFAOYSA-N- Molecular formula
- C17H17F4NO3
- Average molar mass
- 359.31 g/mol
- Monoisotopic mass
- 359.11445605
Names & identifiers
- Preferred name
- 4-{(1RS,2SR)-2-amino-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl}phenol
- IUPAC
- 4-[2-amino-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]phenol
Names & synonyms
4-{(1RS,2SR)-2-amino-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl}phenolSCHEMBL5751444
Database identifiers
- PubChem CID
- 22262002
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 405
Related reactions
4 records
Compound notes
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