chempirical

Fluotrimazole

C22H16F3N3CAS 31251-03-3379.39 g/mol

Open in Covalent MOL file
FFFNNN
Alkyl halide

Properties

Molecular formula
C22H16F3N3
Molar mass
379.39 g/mol
Exact mass
379.1296 Da
logP
5.14Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
31251-03-3
SMILES
FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cncn2)c1
InChIKey
LXMQMMSGERCRSU-UHFFFAOYSA-N
InChI
InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1H-1,2,4-Triazole, 1-[diphenyl[3-(trifluoromethyl)phenyl]methyl]-
  • 1H-1,2,4-Triazole, 1-[α,α-diphenyl-m-(trifluoromethyl)benzyl]-
  • 1-[Diphenyl[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
  • B 6660
  • Persulon
  • Persulon 6660
  • Diphenyl(3-trifluoromethylphenyl)(1,2,4-triazol-1-yl)methane
  • NSC 303302
  • Fluotrimazol

Work with Fluotrimazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Bis(trifluoromethyl)benzene402-31-347 % similar 1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-840 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-640 % similar Trifluorotoluene98-08-840 % similar 3-Fluorobenzotrifluoride401-80-938 % similar 3-(Trifluoromethyl)benzophenone728-81-438 % similar 3-(Trifluoromethyl)benzonitrile368-77-437 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook