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

C24H35F3O — CID 150456742

IUPAC1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C(Cc2ccc(OC(F)(F)F)cc2)C2CCCCC2)CC1
InChIInChI=1S/C24H35F3O/c1-2-6-18-9-13-21(14-10-18)23(20-7-4-3-5-8-20)17-19-11-15-22(16-12-19)28-24(25,26)27/h11-12,15-16,18,20-21,23H,2-10,13-14,17H2,1H3
InChIKeyHOYGJGLTYIAKND-UHFFFAOYSA-N
MW396.54 g/mol
LogP7.93
Rot. Bonds7

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

1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene (PubChem CID 150456742) has the molecular formula C24H35F3O and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
PubChem CID150456742
Molecular FormulaC24H35F3O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C(Cc2ccc(OC(F)(F)F)cc2)C2CCCCC2)CC1
InChIInChI=1S/C24H35F3O/c1-2-6-18-9-13-21(14-10-18)23(20-7-4-3-5-8-20)17-19-11-15-22(16-12-19)28-24(25,26)27/h11-12,15-16,18,20-21,23H,2-10,13-14,17H2,1H3
InChIKeyHOYGJGLTYIAKND-UHFFFAOYSA-N
XLogP7.93
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 ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 150463835
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-[1,1-difluoro-3-(4-propylcyclohexyl)propoxy]-4-ethylbenzene
CID 21353157
1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene
CID 19767143
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
N-methyl-1-(oxan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 65331754
4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
CID 57234635
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756
1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 139817355

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene (CID 150456742) is 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene is CCCC1CCC(C(Cc2ccc(OC(F)(F)F)cc2)C2CCCCC2)CC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene?
The InChIKey is HOYGJGLTYIAKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3O/c1-2-6-18-9-13-21(14-10-18)23(20-7-4-3-5-8-20)17-19-11-15-22(16-12-19)28-24(25,26)27/h11-12,15-16,18,20-21,23H,2-10,13-14,17H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene?
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene has a molecular weight of 396.54 g/mol, XLogP of 7.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 150456742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).