4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol

C24H40F2O2 — CID 169238885

IUPAC4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol
SMILESOC1CCC(OCC2CCC(C3CCC(C4CCCC4)CC3)CC2)C(F)C1F
InChIInChI=1S/C24H40F2O2/c25-23-21(27)13-14-22(24(23)26)28-15-16-5-7-18(8-6-16)20-11-9-19(10-12-20)17-3-1-2-4-17/h16-24,27H,1-15H2
InChIKeyYFQRTZVNMVEDLF-UHFFFAOYSA-N
MW398.58 g/mol
LogP6.01
Rot. Bonds5

About 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol

4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol (PubChem CID 169238885) has the molecular formula C24H40F2O2 and a molecular weight of 398.58 g/mol. Its IUPAC name is 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol
PubChem CID169238885
Molecular FormulaC24H40F2O2
Molecular Weight398.58 g/mol
Exact Mass398.30
IUPAC Name4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol
SMILESOC1CCC(OCC2CCC(C3CCC(C4CCCC4)CC3)CC2)C(F)C1F
InChIInChI=1S/C24H40F2O2/c25-23-21(27)13-14-22(24(23)26)28-15-16-5-7-18(8-6-16)20-11-9-19(10-12-20)17-3-1-2-4-17/h16-24,27H,1-15H2
InChIKeyYFQRTZVNMVEDLF-UHFFFAOYSA-N
XLogP6.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.58
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol with MolForge

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Related Compounds

(3S)-1-cyclohexyl-2,3-difluoro-4-[[4-(3-fluoro-4-iodocyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 90437164
4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
CID 138663959
4-[(4-decan-4-ylcyclohexyl)methoxy]-2,3-difluorocycloheptan-1-ol
CID 138534864
4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol
CID 138663744
2-(cyclohexylmethoxy)cyclohexan-1-ol
CID 62383231
2-(cyclopentylmethoxy)cycloheptan-1-ol
CID 66324580
2-(cyclohexylmethoxy)-4-ethylcyclohexan-1-ol
CID 62383405
1-butoxy-2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexane
CID 130256718
2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)
CID 91181772
5-(cyclopentylmethoxy)-2,2-dimethylcyclopentan-1-ol
CID 79857852
3-(cyclohexylmethoxy)oxan-4-ol
CID 62383586
2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol
CID 142486175

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol?
The IUPAC name of 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol (CID 169238885) is 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol?
The canonical SMILES for 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol is OC1CCC(OCC2CCC(C3CCC(C4CCCC4)CC3)CC2)C(F)C1F.
What is the InChIKey of 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol?
The InChIKey is YFQRTZVNMVEDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40F2O2/c25-23-21(27)13-14-22(24(23)26)28-15-16-5-7-18(8-6-16)20-11-9-19(10-12-20)17-3-1-2-4-17/h16-24,27H,1-15H2.
What are the key properties of 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol?
4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol has a molecular weight of 398.58 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol is sourced from PubChem (CID 169238885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).