1-Fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C₂₁H₃₁FCAS 82832-27-7302.48 g/mol

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Properties

Molecular formula: C₂₁H₃₁F
Molar mass: 302.48 g/mol
Exact mass: 302.2410 Da
logP: 6.71Crippen estimate
Polar surface area: 0.0 Å²
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

82832-27-7

SMILES

CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)F

InChIKey

IKODGORUTZMKPL-UHFFFAOYSA-N

InChI

InChI=1S/C21H31F/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/h12-19H,2-11H2,1H3

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Names and synonyms

1 names

Trans,trans-4-(4-fluorophenyl)-4''-propyl-bicyclohexyl

Work with 1-Fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

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-Fluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl87260-24-082 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-471 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-769 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-propyl-bicyclohexyl82832-57-366 % similar 1-[(Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene133937-72-161 % similar trans-4-(3,4,5-Trifluorophenyl)-trans-4′-propylbicyclohexane131819-23-359 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-658 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-558 % similar

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

Elsewhere

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