(4,4-difluorocyclohexyl)methanol;ethane

C9H18F2O — CID 162726117

IUPAC(4,4-difluorocyclohexyl)methanol;ethane
SMILESCC.OCC1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2O.C2H6/c8-7(9)3-1-6(5-10)2-4-7;1-2/h6,10H,1-5H2;1-2H3
InChIKeyVFUIWVXFYJWNQC-UHFFFAOYSA-N
MW180.24 g/mol
LogP2.83
Rot. Bonds1

About (4,4-difluorocyclohexyl)methanol;ethane

(4,4-difluorocyclohexyl)methanol;ethane (PubChem CID 162726117) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)methanol;ethane.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)methanol;ethane
PubChem CID162726117
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name(4,4-difluorocyclohexyl)methanol;ethane
SMILESCC.OCC1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2O.C2H6/c8-7(9)3-1-6(5-10)2-4-7;1-2/h6,10H,1-5H2;1-2H3
InChIKeyVFUIWVXFYJWNQC-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol
CID 159319848
(4-fluoro-4-methylcyclohexyl)methanol
CID 84649094
(2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol
CID 170700246
1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
CID 134254896
1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol
CID 168857252
[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol
CID 129134790
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
1,2-dioxaspiro[2.5]octan-6-ylmethanol
CID 141153592
(4,4-difluorocyclohexyl)methanesulfonic acid
CID 154021800
(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate
CID 158542629
ethane;(4-methylcyclohexyl)methanol
CID 142233866
[(1S)-3,3-dimethylcyclopentyl]methanol
CID 159914707

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)methanol;ethane?
The IUPAC name of (4,4-difluorocyclohexyl)methanol;ethane (CID 162726117) is (4,4-difluorocyclohexyl)methanol;ethane.
What is the SMILES notation for (4,4-difluorocyclohexyl)methanol;ethane?
The canonical SMILES for (4,4-difluorocyclohexyl)methanol;ethane is CC.OCC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)methanol;ethane?
The InChIKey is VFUIWVXFYJWNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O.C2H6/c8-7(9)3-1-6(5-10)2-4-7;1-2/h6,10H,1-5H2;1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)methanol;ethane?
(4,4-difluorocyclohexyl)methanol;ethane has a molecular weight of 180.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)methanol;ethane is sourced from PubChem (CID 162726117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).