Basic information
- Standard SMILES
Cc1ccc(-c2ncn(-c3ccc(C(F)(F)C(F)(F)F)cc3)n2)cc1- InChIKey
YRLPTXZGVYPJIF-UHFFFAOYSA-N- Molecular formula
- C17H12F5N3
- Average molar mass
- 353.29 g/mol
Names & identifiers
- Preferred name
- 1-(4-Pentafluoroethylphenyl)-3-p-tolyl-1H-[1,2,4]triazole
- IUPAC
- 3-(4-methylphenyl)-1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,2,4-triazole
Names & synonyms
1-(4-Pentafluoroethylphenyl)-3-p-tolyl-1H-[1,2,4]triazoleSCHEMBL12293091-(4-Pentafluoroethyl-phenyl)-3-p-tolyl-1H-[1,2,4]triazole
Database identifiers
- PubChem CID
- 86633385
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Related reactions
6 records
Compound notes
Loading…