Basic information
- Standard SMILES
FC(F)(F)c1cccc(Cn2nnc3ccccc32)c1- InChIKey
VAPQCPUFLSHLPG-UHFFFAOYSA-N- Molecular formula
- C14H10F3N3
- Average molar mass
- 277.24 g/mol
Names & identifiers
- Preferred name
- 1-(3-trifluoromethylbenzyl)-1H-benzotriazole
- IUPAC
- 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole
Names & synonyms
1-(3-trifluoromethylbenzyl)-1H-benzotriazoleSCHEMBL7594126AKOS024361010ST50991114{[3-(trifluoromethyl)phenyl]methyl}benzotriazole
Database identifiers
- PubChem CID
- 4652156
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
2 records
Compound notes
Loading…