Basic information
- Standard SMILES
OC(c1cnccc1-c1ccc(Cl)cc1F)C(F)(F)F- InChIKey
BDQCLTWVQREDMU-UHFFFAOYSA-N- Molecular formula
- C13H8ClF4NO
- Average molar mass
- 305.65 g/mol
Names & identifiers
- Preferred name
- 1-(4-(4-Chloro-2-fluorophenyl)pyridin-3-yl)-2,2,2-trifluoroethanol
- IUPAC
- 1-[4-(4-chloro-2-fluorophenyl)-3-pyridinyl]-2,2,2-trifluoroethanol
Names & synonyms
1-(4-(4-chloro-2-fluorophenyl)pyridin-3-yl)-2,2,2-trifluoroethanolSCHEMBL15240856
Database identifiers
- PubChem CID
- 89791289
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Related reactions
2 records
Compound notes
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