chempirical

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

C21H30F2CAS 82832-57-3320.47 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C21H30F2
Molar mass
320.47 g/mol
Exact mass
320.2316 Da
logP
6.85Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

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
82832-57-3
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChIKey
FSWZOZXLWVWJAH-UHFFFAOYSA-N
InChI
InChI=1S/C21H30F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h12-18H,2-11H2,1H3

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Work with Trans,trans-4-(3,4-difluorophenyl)-4''-propyl-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-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-091 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-butyl-bicyclohexyl82832-58-484 % similar 1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-582 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-476 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-072 % similar trans-4-(3,4,5-Trifluorophenyl)-trans-4′-propylbicyclohexane131819-23-371 % similar 1-Fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene82832-27-766 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-463 % similar

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

Elsewhere

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