chempirical

2,3′,4′,5′-Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1′-biphenyl

C21H22F4CAS 173837-35-9350.40 g/mol

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Aryl halide

Properties

Molecular formula
C21H22F4
Molar mass
350.40 g/mol
Exact mass
350.1658 Da
logP
6.98Crippen 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
173837-35-9
SMILES
CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)CC1
InChIKey
AYFPNRLYKGMWJN-HDJSIYSDNA-N
InChI
InChI=1/C21H22F4/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(22)10-15)16-11-19(23)21(25)20(24)12-16/h8-14H,2-7H2,1H3/t13-,14-

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Names and synonyms

5 names
  • 1,1′-Biphenyl, 2,3′,4′,5′-tetrafluoro-4-(trans-4-propylcyclohexyl)-
  • 1,1′-Biphenyl, 2,3′,4′,5′-tetrafluoro-4-(4-propylcyclohexyl)-, trans-
  • CGU 3F
  • 3-HB(F)B(F,F)-F
  • trans-4-(4-Propylcyclohexyl)-2,3′,4′,5′-tetrafluoro-1,1′-biphenyl

Work with 2,3′,4′,5′-Tetrafluoro-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-propylcyclohexyl)-1,1′-biphenyl132123-39-874 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-472 % similar trans-4-(3,4,5-Trifluorophenyl)-trans-4′-propylbicyclohexane131819-23-367 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-066 % similar 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl137019-95-562 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-060 % similar 1,2,3-Trifluoro-5-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene137644-54-355 % similar 3-Bb(F)B(F,F)-F205806-87-752 % similar

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

Elsewhere

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