1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol

C14H26F2O — CID 114215688

IUPAC1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
SMILESCC(C)CC(C)CC(O)C1CCCC(F)(F)C1
InChIInChI=1S/C14H26F2O/c1-10(2)7-11(3)8-13(17)12-5-4-6-14(15,16)9-12/h10-13,17H,4-9H2,1-3H3
InChIKeyKAYFTWOGPYKHQZ-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.25
Rot. Bonds5

About 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol

1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol (PubChem CID 114215688) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
PubChem CID114215688
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
SMILESCC(C)CC(C)CC(O)C1CCCC(F)(F)C1
InChIInChI=1S/C14H26F2O/c1-10(2)7-11(3)8-13(17)12-5-4-6-14(15,16)9-12/h10-13,17H,4-9H2,1-3H3
InChIKeyKAYFTWOGPYKHQZ-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-1-(3,3-difluorocyclohexyl)-4-methylpentan-1-ol
CID 114226754
2-cyclohexyl-1-(3,3-difluorocyclohexyl)ethanol
CID 114215735
1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol
CID 114215722
1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine
CID 114284914
(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol
CID 160689350
(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol
CID 130563414
(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
CID 114215750
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
(1S,3R)-1-cyclopentylbutane-1,3-diol
CID 130757763
1-(3,3-difluorocyclohexyl)-3-methylbutan-1-one
CID 130484741
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol (CID 114215688) is 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol is CC(C)CC(C)CC(O)C1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol?
The InChIKey is KAYFTWOGPYKHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-10(2)7-11(3)8-13(17)12-5-4-6-14(15,16)9-12/h10-13,17H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol?
1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol has a molecular weight of 248.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol is sourced from PubChem (CID 114215688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).