2,3-difluoro-4-methylcyclohexan-1-ol

C7H12F2O — CID 89103699

IUPAC2,3-difluoro-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(F)C1F
InChIInChI=1S/C7H12F2O/c1-4-2-3-5(10)7(9)6(4)8/h4-7,10H,2-3H2,1H3
InChIKeyWULVCDISBOXZIL-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.45
Rot. Bonds

About 2,3-difluoro-4-methylcyclohexan-1-ol

2,3-difluoro-4-methylcyclohexan-1-ol (PubChem CID 89103699) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,3-difluoro-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2,3-difluoro-4-methylcyclohexan-1-ol
PubChem CID89103699
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2,3-difluoro-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(F)C1F
InChIInChI=1S/C7H12F2O/c1-4-2-3-5(10)7(9)6(4)8/h4-7,10H,2-3H2,1H3
InChIKeyWULVCDISBOXZIL-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
(1S,2R,3S)-3-methylcyclopentane-1,2-diol
CID 11863599
2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid
CID 174740400
(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine
CID 125452174
trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane
CID 134441969
1-[4-(2,3-difluoro-4-iodocyclohexyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118103255
(1S)-1-fluoro-2-methylcyclobutane
CID 149484221
2,3,5-trimethylcycloheptane-1,4-diol
CID 123379780
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene
CID 144922818
4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
CID 138663959

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methylcyclohexan-1-ol?
The IUPAC name of 2,3-difluoro-4-methylcyclohexan-1-ol (CID 89103699) is 2,3-difluoro-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2,3-difluoro-4-methylcyclohexan-1-ol?
The canonical SMILES for 2,3-difluoro-4-methylcyclohexan-1-ol is CC1CCC(O)C(F)C1F.
What is the InChIKey of 2,3-difluoro-4-methylcyclohexan-1-ol?
The InChIKey is WULVCDISBOXZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-4-2-3-5(10)7(9)6(4)8/h4-7,10H,2-3H2,1H3.
What are the key properties of 2,3-difluoro-4-methylcyclohexan-1-ol?
2,3-difluoro-4-methylcyclohexan-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methylcyclohexan-1-ol is sourced from PubChem (CID 89103699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).