chempirical

4-Fluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl

C21H25FCAS 87260-24-0296.43 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C21H25F
Molar mass
296.43 g/mol
Exact mass
296.1940 Da
logP
6.57Crippen 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
87260-24-0
SMILES
CCC[C@H]1CC[C@H](c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIKey
DYBQDZYHNOGWIK-QAQDUYKDNA-N
InChI
InChI=1/C21H25F/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h8-17H,2-7H2,1H3/t16-,17-

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Names and synonyms

5 names
  • 1,1′-Biphenyl, 4-fluoro-4′-(trans-4-propylcyclohexyl)-
  • 1,1′-Biphenyl, 4-fluoro-4′-(4-propylcyclohexyl)-, trans-
  • 4-(trans-4-n-Propylcyclohexyl)-4′-fluorobiphenyl
  • 3-HBB-F
  • CPP-3-F

Work with 4-Fluoro-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

4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-471 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-068 % similar 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl132123-39-867 % similar 4-Ethyl-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl84540-37-467 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-658 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-558 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-058 % similar 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-555 % similar

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

Elsewhere

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