chempirical

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

C20H28F2CAS 118164-50-4306.44 g/mol

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Aryl halide

Properties

Molecular formula
C20H28F2
Molar mass
306.44 g/mol
Exact mass
306.2159 Da
logP
6.46Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
118164-50-4
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChIKey
WDECTZREPSJUQW-UHFFFAOYSA-N
InChI
InChI=1S/C20H28F2/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/h11-17H,2-10H2,1H3

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

5-[(Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-1,2,3-trifluorobenzene139215-80-870 % similar 1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-570 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-068 % similar trans-4′-(3,4-Difluorophenyl)[1,1′-bicyclohexyl]-4-one147622-85-359 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-053 % similar trans-4-(3,4,5-Trifluorophenyl)-trans-4′-propylbicyclohexane131819-23-352 % similar 1-[(Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene135734-59-752 % similar 1,2,3-Trifluoro-5-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene137644-54-349 % similar

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

Elsewhere

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