chempirical

3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl

C21H23F3CAS 132123-39-8332.41 g/mol

Open in Covalent MOL file
FFF
Aryl halide

Properties

Molecular formula
C21H23F3
Molar mass
332.41 g/mol
Exact mass
332.1752 Da
logP
6.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
132123-39-8
SMILES
CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIKey
RRKRBRVTKIRLHH-SHTZXODSNA-N
InChI
InChI=1/C21H23F3/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h8-15H,2-7H2,1H3/t14-,15-

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Names and synonyms

8 names
  • 1,1′-Biphenyl, 3,4,5-trifluoro-4′-(trans-4-propylcyclohexyl)-
  • 1,1′-Biphenyl, 3,4,5-trifluoro-4′-(4-propylcyclohexyl)-, trans-
  • 4-(trans-4-Propylcyclohexyl)-3′,4′,5′-trifluorobiphenyl
  • BCH 3F.F.F
  • 4′-(trans-4-Propylcyclohexyl)-3,4,5-trifluorobiphenyl
  • 3-HBB(F,F)-F
  • CPU 3F
  • trans-4-(4-Propylcyclohexyl)-3′,4′,5′-trifluoro-1,1′-biphenyl

Work with 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl

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

3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl137019-95-583 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-077 % similar 2,3′,4′,5′-Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1′-biphenyl173837-35-974 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-473 % similar trans-4-(3,4,5-Trifluorophenyl)-trans-4′-propylbicyclohexane131819-23-368 % similar 4-Fluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl87260-24-067 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-063 % similar 4-Ethyl-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl84540-37-459 % similar

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

Elsewhere

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