chempirical

3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl

C21H24F2CAS 85312-59-0314.42 g/mol

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FF
Aryl halide

Properties

Molecular formula
C21H24F2
Molar mass
314.42 g/mol
Exact mass
314.1846 Da
Density
1.05 g/mL (at 80 °C)
logP
6.71Crippen 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
85312-59-0
SMILES
CCC[C@H]1CC[C@H](c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIKey
VULXHDGYVHCLLN-WKILWMFINA-N
InChI
InChI=1/C21H24F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h8-16H,2-7H2,1H3/t15-,16-

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Names and synonyms

6 names
  • 1,1′-Biphenyl, 3,4-difluoro-4′-(trans-4-propylcyclohexyl)-
  • 1,1′-Biphenyl, 3,4-difluoro-4′-(4-propylcyclohexyl)-, trans-
  • BCH 3F.F
  • 3-HBB(F)-F
  • 4-(trans-4-n-Propylcyclohexyl)-3′,4′-difluoro-1,1′-biphenyl
  • CPG-3-F

Work with 3,4-Difluoro-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

1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-078 % similar 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl132123-39-877 % similar 4-Fluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl87260-24-068 % similar 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl137019-95-564 % similar 2,3′,4′,5′-Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1′-biphenyl173837-35-960 % similar 4-Ethyl-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl84540-37-460 % similar 1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-559 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-457 % similar

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

Elsewhere

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