chempirical

trans-4-(3,4-Difluorophenyl)-trans-4'-vinylbicyclohexane

C20H26F2CAS 142400-92-8304.42 g/mol

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AlkeneAryl halide

Properties

Molecular formula
C20H26F2
Molar mass
304.42 g/mol
Exact mass
304.2003 Da
logP
6.23Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
142400-92-8
SMILES
C=CC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChIKey
ALFLDQIYGBNZCO-UHFFFAOYSA-N
InChI
InChI=1S/C20H26F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h2,11-17H,1,3-10H2

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Work with trans-4-(3,4-Difluorophenyl)-trans-4'-vinylbicyclohexane

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

Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-459 % similar V-HHB-1155041-85-357 % similar trans-4′-(3,4-Difluorophenyl)[1,1′-bicyclohexyl]-4-one147622-85-357 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-propyl-bicyclohexyl82832-57-357 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-butyl-bicyclohexyl82832-58-455 % similar 1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-553 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-050 % similar 4-(trans-4-Ethenylcyclohexyl)benzonitrile96184-42-847 % similar

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

Elsewhere

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