Basic information
- Standard SMILES
N#Cc1cccc(C(F)(F)F)c1O- InChIKey
YGEKVAMNKMELFK-UHFFFAOYSA-N- Molecular formula
- C8H4F3NO
- Average molar mass
- 187.12 g/mol
- Monoisotopic mass
- 187.02449824
Names & identifiers
- Preferred name
- 2-Hydroxy-3-(trifluoromethyl)benzonitrile
- IUPAC
- 2-hydroxy-3-(trifluoromethyl)benzonitrile
Names & synonyms
2-hydroxy-3-(trifluoromethyl)benzonitrile39055-80-6MFCD169992003-trifluoromethyl-salicylonitrileSCHEMBL31673108D96180
Database identifiers
- PubChem CID
- 21562992
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Related reactions
1 records
Compound notes
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