Basic information
- Standard SMILES
Cn1nccc1[C@@]1(O)CCC(F)(F)C[C@H]1O- InChIKey
TUALMXQSVHLOTA-SCZZXKLOSA-N- Molecular formula
- C10H14F2N2O2
- Average molar mass
- 232.23 g/mol
Names & identifiers
- Preferred name
- (1S,2R)-4,4-Difluoro-1-(1-methyl-1H-pyrazol-5-yl)cyclohexane-1,2-diol
- IUPAC
- cis-(1S,2R)-4,4-difluoro-1-(2-methylpyrazol-3-yl)cyclohexane-1,2-diol
Names & synonyms
SCHEMBL15465358TUALMXQSVHLOTA-SCZZXKLOSA-N(1S,2R)-4,4-Difluoro-1-(1-methyl-1H-pyrazol-5-yl)cyclohexane-1,2-diol
Database identifiers
- PubChem CID
- 89963063
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
2 records
Compound notes
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