trans-4′-(3,4-Difluorophenyl)[1,1′-bicyclohexyl]-4-one

C18H22F2OCAS 147622-85-3292.37 g/mol

Open in Covalent MOL file
OFF
Aryl halideKetone

Properties

Molecular formula
C18H22F2O
Molar mass
292.37 g/mol
Exact mass
292.1639 Da
logP
5.00Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2
Stereocentres
r, rin SMILES atom order

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
147622-85-3
SMILES
O=C1CCC([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1
InChIKey
IUJMYVYPSSBPCX-MQMHXKEQNA-N
InChI
InChI=1/C18H22F2O/c19-17-10-7-15(11-18(17)20)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h7,10-14H,1-6,8-9H2/t12-,14-

Weigh it out

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

Names and synonyms

1 names
  • [1,1′-Bicyclohexyl]-4-one, 4′-(3,4-difluorophenyl)-, trans-

Work with trans-4′-(3,4-Difluorophenyl)[1,1′-bicyclohexyl]-4-one

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

Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-459 % similar trans-4-(3,4-Difluorophenyl)-trans-4'-vinylbicyclohexane142400-92-857 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-propyl-bicyclohexyl82832-57-357 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-butyl-bicyclohexyl82832-58-455 % similar 1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-553 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-050 % similar 4-(4′-Hydroxyphenyl)cyclohexanone105640-07-144 % similar 4-(4-Methylphenyl)cyclohexanone40503-90-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook