chempirical

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

C23H27F3CAS 137019-95-5360.46 g/mol

Open in Covalent MOL file
FFF
Aryl halide

Properties

Molecular formula
C23H27F3
Molar mass
360.46 g/mol
Exact mass
360.2065 Da
Density
1.09 g/mL (at 80 °C)
logP
7.63Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
137019-95-5
SMILES
CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
InChIKey
PRYCYWMMSZSXBK-QAQDUYKDNA-N
InChI
InChI=1/C23H27F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h10-17H,2-9H2,1H3/t16-,17-

Weigh it out

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

Names and synonyms

6 names
  • 1,1′-Biphenyl, 3,4,5-trifluoro-4′-(trans-4-pentylcyclohexyl)-
  • 1,1′-Biphenyl, 3,4,5-trifluoro-4′-(4-pentylcyclohexyl)-, trans-
  • 4-(trans-4-Pentylcyclohexyl)-3′,4′,5′-trifluorobiphenyl
  • 5-HBB(F,F)-F
  • CPU-5-F
  • BCH-5F.F.F

Work with 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-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-propylcyclohexyl)-1,1′-biphenyl132123-39-883 % similar 1,2,3-Trifluoro-5-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene137644-54-370 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-064 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-462 % similar 2,3′,4′,5′-Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1′-biphenyl173837-35-962 % similar 4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl79709-85-661 % similar 1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-561 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-460 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook