5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene

C24H33F5O — CID 139710881

IUPAC5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESCCC1CCC(C(C)CC2CCC(c3cc(F)c(OC(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H33F5O/c1-3-16-4-8-18(9-5-16)15(2)12-17-6-10-19(11-7-17)20-13-21(25)23(22(26)14-20)30-24(27,28)29/h13-19H,3-12H2,1-2H3
InChIKeyQTATXJDJUDYMLV-UHFFFAOYSA-N
MW432.52 g/mol
LogP8.38
Rot. Bonds6

About 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene

5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene (PubChem CID 139710881) has the molecular formula C24H33F5O and a molecular weight of 432.52 g/mol. Its IUPAC name is 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
PubChem CID139710881
Molecular FormulaC24H33F5O
Molecular Weight432.52 g/mol
Exact Mass432.25
IUPAC Name5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESCCC1CCC(C(C)CC2CCC(c3cc(F)c(OC(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H33F5O/c1-3-16-4-8-18(9-5-16)15(2)12-17-6-10-19(11-7-17)20-13-21(25)23(22(26)14-20)30-24(27,28)29/h13-19H,3-12H2,1-2H3
InChIKeyQTATXJDJUDYMLV-UHFFFAOYSA-N
XLogP8.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-[2-(4-butylcyclohexyl)propyl]cyclohexyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 139710874
5-[4-[4-[2-(4-butylcyclohexyl)propyl]cyclohexyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 139710793
1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene
CID 139710926
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905
1,3-difluoro-5-[4-(4-pent-2-enylcyclohexyl)cyclohexyl]-2-(trifluoromethoxy)benzene
CID 54450145
5-[4-[2-[4-[(E)-but-1-enyl]cyclohexyl]ethyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 67588955
1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710938
1,3-difluoro-5-[4-(4-hept-3-enylcyclohexyl)cyclohexyl]-2-(trifluoromethoxy)benzene
CID 54258081
1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
CID 20591337
1,3-difluoro-5-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethoxy)benzene
CID 67589680
5-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 54414712
1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710805

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene (CID 139710881) is 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene is CCC1CCC(C(C)CC2CCC(c3cc(F)c(OC(F)(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The InChIKey is QTATXJDJUDYMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F5O/c1-3-16-4-8-18(9-5-16)15(2)12-17-6-10-19(11-7-17)20-13-21(25)23(22(26)14-20)30-24(27,28)29/h13-19H,3-12H2,1-2H3.
What are the key properties of 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene has a molecular weight of 432.52 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 139710881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).