3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol

C16H28F2O — CID 134271036

IUPAC3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol
SMILESCC1CCC(C2CCC(CCCO)C(F)C2F)CC1
InChIInChI=1S/C16H28F2O/c1-11-4-6-12(7-5-11)14-9-8-13(3-2-10-19)15(17)16(14)18/h11-16,19H,2-10H2,1H3
InChIKeyNOKICRSDEHYEQV-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.29
Rot. Bonds4

About 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol

3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol (PubChem CID 134271036) has the molecular formula C16H28F2O and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol
PubChem CID134271036
Molecular FormulaC16H28F2O
Molecular Weight274.39 g/mol
Exact Mass274.21
IUPAC Name3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol
SMILESCC1CCC(C2CCC(CCCO)C(F)C2F)CC1
InChIInChI=1S/C16H28F2O/c1-11-4-6-12(7-5-11)14-9-8-13(3-2-10-19)15(17)16(14)18/h11-16,19H,2-10H2,1H3
InChIKeyNOKICRSDEHYEQV-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2,3-difluoro-1-[4-[3-(2-fluoro-4-methylcyclohexyl)propyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 90437111
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171
(2S)-1-[4-[2-(2,3-difluoro-4-methylcyclohexyl)ethyl]cyclohexyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437368
2,3-difluoro-1-(methoxymethyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;molecular hydrogen;hydrate
CID 160630512
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylcyclohexane;molecular hydrogen;hydrate
CID 159079848
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
1-(4-butoxycyclohexyl)-2,3-difluoro-4-[3-[4-(2-fluoro-4-methylcyclohexyl)cyclohexyl]propyl]cyclohexane
CID 90437548
(3R)-1-[4-[2-(4-butyl-3-fluorocyclohexyl)ethyl]cyclohexyl]-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 90437445
1-[2-[4-(4-ethyl-2-fluorocyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437161
5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677376
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol
CID 142486175

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol?
The IUPAC name of 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol (CID 134271036) is 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol is CC1CCC(C2CCC(CCCO)C(F)C2F)CC1.
What is the InChIKey of 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol?
The InChIKey is NOKICRSDEHYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2O/c1-11-4-6-12(7-5-11)14-9-8-13(3-2-10-19)15(17)16(14)18/h11-16,19H,2-10H2,1H3.
What are the key properties of 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol?
3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol has a molecular weight of 274.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 134271036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).