chempirical

1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene

C23H34F2CAS 117943-37-0348.52 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C23H34F2
Molar mass
348.52 g/mol
Exact mass
348.2629 Da
logP
7.63Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
117943-37-0
SMILES
CCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C=C3)F)F
InChIKey
HTAPXFSKUGZEEP-UHFFFAOYSA-N
InChI
InChI=1S/C23H34F2/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-20H,2-13H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]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

3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-078 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-469 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-468 % similar 2,3′,4′,5′-Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1′-biphenyl173837-35-966 % similar trans-4-(3,4,5-Trifluorophenyl)-trans-4′-propylbicyclohexane131819-23-363 % similar 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl132123-39-863 % similar 4-Fluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl87260-24-058 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-654 % similar

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

Same formula

1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook