5-Phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole
Basic information
- CAS
59583-11-8- Standard SMILES
FC(F)(F)c1cccc(-n2nncc2-c2ccccc2)c1- InChIKey
KPKFLJOKFSFNGP-UHFFFAOYSA-N- Molecular formula
- C15H10F3N3
- Average molar mass
- 289.25 g/mol
- Monoisotopic mass
- 289.08268182
Names & identifiers
- Preferred name
- 5-Phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole
- IUPAC
- 5-phenyl-1-[3-(trifluoromethyl)phenyl]triazole
Names & synonyms
59583-11-85-Phenyl-1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole5-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazoleNSC184827DTXSID20306990KPKFLJOKFSFNGP-UHFFFAOYSA-NNSC-184827
Database identifiers
- CAS
59583-11-8- PubChem CID
- 302158
- DTXSID
DTXSID20306990- Nikkaji
- J3.363.876K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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