Basic information
- Standard SMILES
Cc1cncn1-c1ccc(OC(F)(F)F)cc1C#N- InChIKey
GPUZBFFBMVAQTB-UHFFFAOYSA-N- Molecular formula
- C12H8F3N3O
- Average molar mass
- 267.21 g/mol
- Monoisotopic mass
- 267.06194637
Names & identifiers
- Preferred name
- 2-(5-Methyl-imidazol-1-yl)-5-trifluoromethoxy-benzonitrile
- IUPAC
- 2-(5-methylimidazol-1-yl)-5-(trifluoromethoxy)benzonitrile
Names & synonyms
2-(5-methyl-imidazol-1-yl)-5-trifluoromethoxy-benzonitrileSCHEMBL28278435-trifluoromethoxy-2-(5-methyl-imidazol-1-yl)-benzonitrile
Database identifiers
- PubChem CID
- 68406474
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
4 records
Compound notes
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