1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol

C9H16F2O — CID 80604395

IUPAC1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)C(F)F
InChIInChI=1S/C9H16F2O/c1-8(2)5-3-4-6-9(8,12)7(10)11/h7,12H,3-6H2,1-2H3
InChIKeyWRRHEZOSRBMZDO-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.58
Rot. Bonds1

About 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol

1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 80604395) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID80604395
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)C(F)F
InChIInChI=1S/C9H16F2O/c1-8(2)5-3-4-6-9(8,12)7(10)11/h7,12H,3-6H2,1-2H3
InChIKeyWRRHEZOSRBMZDO-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-hydroxy-2,2-dimethylcyclohexyl)butanoic acid
CID 79852603
2,2-dimethyl-1-(4-methylpentan-2-yl)cyclopentan-1-ol
CID 130519516
2-(1-hydroxy-2,2-dimethylcyclopentyl)propanoic acid
CID 79863080
1-(difluoromethyl)-1-methylcyclopentane
CID 134531916
trans-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
CID 130706001
trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
CID 45096065
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
2-(difluoromethyl)-2-methylpiperidine
CID 84763126
ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499
10-propan-2-ylspiro[4.5]decan-10-ol
CID 130592861
3-(difluoromethyl)-3-methylazepane
CID 105432135
(3S)-3-(difluoromethyl)-3-methylpiperidine
CID 58874293

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol (CID 80604395) is 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCCC1(O)C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is WRRHEZOSRBMZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-8(2)5-3-4-6-9(8,12)7(10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol?
1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 178.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 80604395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).