Basic information
- Standard SMILES
N#CC(CCO)c1ccccc1C(F)(F)F- InChIKey
GFMRQMKLPQLHOQ-UHFFFAOYSA-N- Molecular formula
- C11H10F3NO
- Average molar mass
- 229.2 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-2-(2-trifluoromethylphenyl)butyronitrile
- IUPAC
- 4-hydroxy-2-[2-(trifluoromethyl)phenyl]butanenitrile
Names & synonyms
4-hydroxy-2-(2-trifluoromethylphenyl)butyronitrileSCHEMBL7206144-Hydroxy-2-(2-trifluoromethylphenyl) butyronitrile
Database identifiers
- PubChem CID
- 66778667
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
2 records
Compound notes
Loading…