chempirical

Trans,trans-4-(3,4-difluorophenyl)-4''-butyl-bicyclohexyl

C22H32F2CAS 82832-58-4334.49 g/mol

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FF
Aryl halide

Properties

Molecular formula
C22H32F2
Molar mass
334.49 g/mol
Exact mass
334.2472 Da
logP
7.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

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
82832-58-4
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChIKey
NZXZINXFUSKTPH-UHFFFAOYSA-N
InChI
InChI=1S/C22H32F2/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h13-19H,2-12H2,1H3

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Work with Trans,trans-4-(3,4-difluorophenyl)-4''-butyl-bicyclohexyl

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,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-592 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-propyl-bicyclohexyl82832-57-384 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-076 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-472 % similar 1,2,3-Trifluoro-5-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene137644-54-367 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-060 % similar trans-4-(3,4,5-Trifluorophenyl)-trans-4′-propylbicyclohexane131819-23-360 % similar 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl137019-95-555 % similar

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

Elsewhere

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