1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol

C15H26F2O — CID 114224493

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(CC2CCCC(F)(F)C2)C1C
InChIInChI=1S/C15H26F2O/c1-11-5-3-7-14(18,12(11)2)9-13-6-4-8-15(16,17)10-13/h11-13,18H,3-10H2,1-2H3
InChIKeyAWYZJXUXADDWDK-UHFFFAOYSA-N
MW260.37 g/mol
LogP4.39
Rot. Bonds2

About 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol

1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 114224493) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol
PubChem CID114224493
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(CC2CCCC(F)(F)C2)C1C
InChIInChI=1S/C15H26F2O/c1-11-5-3-7-14(18,12(11)2)9-13-6-4-8-15(16,17)10-13/h11-13,18H,3-10H2,1-2H3
InChIKeyAWYZJXUXADDWDK-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-ol
CID 114224437
3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol
CID 130487410
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-(3,3-difluorocyclohexyl)-1-(3-methyloxan-4-yl)ethanone
CID 114241894
1-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 114224505
1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol
CID 65154010
1-(ethylaminomethyl)-2,3-dimethylcyclohexan-1-ol
CID 64755854
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol
CID 64756468
methyl 3-[(3,3-difluorocyclohexyl)methylsulfinyl]butanoate
CID 114224985
1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 114224490
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol (CID 114224493) is 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(CC2CCCC(F)(F)C2)C1C.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is AWYZJXUXADDWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O/c1-11-5-3-7-14(18,12(11)2)9-13-6-4-8-15(16,17)10-13/h11-13,18H,3-10H2,1-2H3.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol?
1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 260.37 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114224493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).