1-(2,4-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole
Basic information
- CAS
339108-56-4- Standard SMILES
Fc1ccc(-n2nnnc2-c2cccc(C(F)(F)F)c2)c(F)c1- InChIKey
RJAFJLZSPUFFCY-UHFFFAOYSA-N- Molecular formula
- C14H7F5N4
- Average molar mass
- 326.22 g/mol
Names & identifiers
- Preferred name
- 1-(2,4-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole
- IUPAC
- 1-(2,4-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
- English name
- 1-(2,4-Difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole
- Molecular formula
- C14H7F5N4
- Molecular weight
- 326.22
Names & synonyms
339108-56-41-(2,4-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole1-(2,4-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole1-(2,4-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazoleAKOS0051053109H-416S1H-Tetrazole, 1-(2,4-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
339108-56-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 399.1 · 399.1±52.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -0.09 · -0.09±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…