Basic information
- Standard SMILES
COc1ccc(Cn2cc([C@H]3CCC(F)(F)C[C@@H]3O)cn2)cc1- InChIKey
NMHYVKDNMYPIDH-CVEARBPZSA-N- Molecular formula
- C17H20F2N2O2
- Average molar mass
- 322.35 g/mol
Names & identifiers
- Preferred name
- (1S*,2R*)-5,5-Difluoro-2-[1-(4-methoxybenzyl)-1H-pyrazol-4-yl]cyclohexanol
- IUPAC
- trans-(1S,2R)-5,5-difluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclohexan-1-ol
Names & synonyms
SCHEMBL15465496NMHYVKDNMYPIDH-CVEARBPZSA-N(1S*,2R*)-5,5-Difluoro-2-[1-(4-methoxybenzyl)-1H-pyrazol-4-yl]cyclohexanol
Database identifiers
- PubChem CID
- 89963182
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
2 records
Compound notes
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