Basic information
- Standard SMILES
OCCc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CC(F)(F)F- InChIKey
KJQFBILDIVTNCT-UHFFFAOYSA-N- Molecular formula
- C14H12F6N2O2
- Average molar mass
- 354.25 g/mol
Names & identifiers
- Preferred name
- 2-[2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-ethanol
- IUPAC
- 2-[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]ethanol
Names & synonyms
2-[2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-ethanolSCHEMBL2422363
Database identifiers
- PubChem CID
- 86600635
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Related reactions
4 records
Compound notes
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