chempirical

1-Butoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene

C19H28F2OCAS 208709-55-1310.43 g/mol

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Aryl halideEther

Properties

Molecular formula
C19H28F2O
Molar mass
310.43 g/mol
Exact mass
310.2108 Da
logP
6.22Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7
Stereocentres
s, rin SMILES atom order

Identifiers

CAS number
208709-55-1
SMILES
CCCCOc1ccc([C@H]2CC[C@H](CCC)CC2)c(F)c1F
InChIKey
KYNDSYARZOJNCG-SHTZXODSNA-N
InChI
InChI=1/C19H28F2O/c1-3-5-13-22-17-12-11-16(18(20)19(17)21)15-9-7-14(6-4-2)8-10-15/h11-12,14-15H,3-10,13H2,1-2H3/t14-,15-

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Names and synonyms

6 names
  • Benzene, 1-butoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)-
  • PCH 304FF
  • 3-HB(2F,3F)-O4
  • CY-3-O4
  • CPFF3O4
  • 3CWO4

Work with 1-Butoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)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)benzene174350-05-180 % similar 1-Ethoxy-2,3-difluoro-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene123560-48-575 % similar 4-Ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl189750-98-954 % similar 4-Butoxy-2,3-difluorophenol136239-68-453 % similar 1-Butoxy-2,3-difluorobenzene136239-66-248 % similar 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene131819-24-443 % similar 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-142 % similar 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl132123-39-840 % similar

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

Elsewhere

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