1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene

C24H35F3O — CID 19695352

IUPAC1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F3O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h14-21H,2-13H2,1H3
InChIKeySOZGKBPVTZBPJC-UHFFFAOYSA-N
MW396.54 g/mol
LogP8.25
Rot. Bonds7

About 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene

1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene (PubChem CID 19695352) has the molecular formula C24H35F3O and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
PubChem CID19695352
Molecular FormulaC24H35F3O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F3O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h14-21H,2-13H2,1H3
InChIKeySOZGKBPVTZBPJC-UHFFFAOYSA-N
XLogP8.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535
1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 22908550
1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19746989
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene
CID 70846462
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-(4-heptylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864922
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 91212587
1-[4-(3-methylbutyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702461

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene (CID 19695352) is 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene is CCCC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene?
The InChIKey is SOZGKBPVTZBPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h14-21H,2-13H2,1H3.
What are the key properties of 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene?
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene has a molecular weight of 396.54 g/mol, XLogP of 8.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 19695352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).