Basic information
- Standard SMILES
Nc1c(-c2ccc(OC(F)(F)F)cc2)nnn1-c1ccc(C(F)(F)F)cc1F- InChIKey
LAYHRUYVNMGPET-UHFFFAOYSA-N- Molecular formula
- C16H9F7N4O
- Average molar mass
- 406.26 g/mol
Names & identifiers
- Preferred name
- 3-(2-Fluoro-4-trifluoromethyl-phenyl)-5-(4-trifluoromethoxy-phenyl)-3H-[1,2,3]triazol-4-ylamine
- IUPAC
- 3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethoxy)phenyl]triazol-4-amine
Names & synonyms
3-(2-Fluoro-4-trifluoromethyl-phenyl)-5-(4-trifluoromethoxy-phenyl)-3H-[1,2,3]triazol-4-ylamineSCHEMBL549131
Database identifiers
- PubChem CID
- 25215908
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 524
Related reactions
1 records
Compound notes
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