chempirical

1-[(Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene

C21H29F3OCAS 135734-59-7354.46 g/mol

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OFFF
Alkyl halideEther

Properties

Molecular formula
C21H29F3O
Molar mass
354.46 g/mol
Exact mass
354.2171 Da
logP
7.08Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4
Stereocentres
r, r, r, rin SMILES atom order

Identifiers

CAS number
135734-59-7
SMILES
CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIKey
PBIFTROFCZATFC-OPMHRUBENA-N
InChI
InChI=1/C21H29F3O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21(22,23)24/h11-18H,2-10H2,1H3/t15-,16-,17-,18-

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Names and synonyms

6 names
  • Benzene, 1-[(trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)-
  • Benzene, 1-(4′-ethyl[1,1′-bicyclohexyl]-4-yl)-4-(trifluoromethoxy)-, [trans(trans)]-
  • p-[trans-4-(trans-4-Ethylcyclohexyl)cyclohexyl]trifluoromethoxybenzene
  • 4-[trans-4-(trans-4-Ethylcyclohexyl)cyclohexyl]-1-trifluoromethoxybenzene
  • CCP 2OCF3
  • 2-HHB-OCF3

Work with 1-[(Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene

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Similar compounds

1-[(Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene133937-72-178 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-452 % similar 5-[(Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-1,2,3-trifluorobenzene139215-80-847 % similar 4-(trans-4-Ethylcyclohexyl)benzonitrile72928-54-245 % similar 4-(trans-4-Ethylcyclohexyl)benzoic acid87592-41-443 % similar 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-542 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-742 % similar 2-[4-(Trifluoromethoxy)phenyl]propanedial493036-48-942 % similar

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

Elsewhere

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