chempirical

4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene

C17H25FCAS 76802-61-4248.39 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C17H25F
Molar mass
248.39 g/mol
Exact mass
248.1940 Da
logP
5.68Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
76802-61-4
SMILES
CCCCC[C@H]1CC[C@H](c2ccc(F)cc2)CC1
InChIKey
VCIVJVKSOMDCMN-SHTZXODSNA-N
InChI
InChI=1/C17H25F/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3/t14-,15-

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

Names and synonyms

6 names
  • Benzene, 1-fluoro-4-(trans-4-pentylcyclohexyl)-
  • Benzene, 1-fluoro-4-(4-pentylcyclohexyl)-, trans-
  • 1-Fluoro-4-(trans-4-pentylcyclohexyl)benzene
  • trans-1-(p-Fluorophenyl)-4-pentylcyclohexane
  • PCH 5F
  • 5-HB-F

Work with 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene

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′-biphenyl87260-24-071 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-667 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-767 % similar 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl137019-95-562 % similar 4-(trans-4-Pentylcyclohexyl)benzonitrile61204-01-162 % similar 4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl79709-85-662 % similar 1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene84540-32-962 % similar 1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-561 % similar

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

Elsewhere

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