Basic information
- Standard SMILES
Cc1cc(C(O)(C(C)c2ccc(O)cc2Cl)C(F)(F)F)cn(C)c1=O- InChIKey
LOVGMDDCOWZAFR-UHFFFAOYSA-N- Molecular formula
- C17H17ClF3NO3
- Average molar mass
- 375.8 g/mol
- Monoisotopic mass
- 375.0849056
Names & identifiers
- Preferred name
- 5-[2-(2-Chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-1,3-dimethyl-1H-pyridin-2-one
- IUPAC
- 5-[3-(2-chloro-4-hydroxyphenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3-dimethylpyridin-2-one
Names & synonyms
5-[2-(2-Chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-1,3-dimethyl-1H-pyridin-2-oneSCHEMBL480497
Database identifiers
- PubChem CID
- 66699301
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 604
Related reactions
16 records
Compound notes
Loading…