chempirical

1-Ethoxy-2,3-difluoro-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene

C23H34F2OCAS 123560-48-5364.52 g/mol

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Properties

Molecular formula
C23H34F2O
Molar mass
364.52 g/mol
Exact mass
364.2578 Da
logP
7.24Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6
Stereocentres
r, s, r, rin SMILES atom order

Identifiers

CAS number
123560-48-5
SMILES
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1
InChIKey
CFJCNWQXOICKIF-VVPTUSLJNA-N
InChI
InChI=1/C23H34F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14-19H,3-13H2,1-2H3/t16-,17-,18-,19-

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Names and synonyms

9 names
  • Benzene, 1-ethoxy-2,3-difluoro-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-
  • Benzene, 1-ethoxy-2,3-difluoro-4-(4′-propyl[1,1′-bicyclohexyl]-4-yl)-, [trans(trans)]-
  • CCP 302FF
  • 3-HHB(2F,3F)-O2
  • CCY 3O2
  • CCPFF3O2
  • 3-Cy-cy-ph5-O2
  • 3CCWO2
  • 3CCYO2

Work with 1-Ethoxy-2,3-difluoro-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]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

1-Ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene174350-05-192 % similar 1-Butoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene208709-55-175 % similar 4-Ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl189750-98-962 % similar trans-4-(3,4,5-Trifluorophenyl)-trans-4′-propylbicyclohexane131819-23-348 % similar 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-147 % similar 1-Hydroxy-4-ethoxy-2,3-difluorobenzene126163-56-243 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-442 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-742 % similar

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

Elsewhere

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