(4,4-difluorocyclohexyl)methanol

C7H12F2O — CID 21184133

IUPAC(4,4-difluorocyclohexyl)methanol
SMILESOCC1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2O/c8-7(9)3-1-6(5-10)2-4-7/h6,10H,1-5H2
InChIKeyXJZNZSLOHZLFQP-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.80
Rot. Bonds1

About (4,4-difluorocyclohexyl)methanol

(4,4-difluorocyclohexyl)methanol (PubChem CID 21184133) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)methanol
PubChem CID21184133
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(4,4-difluorocyclohexyl)methanol
SMILESOCC1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2O/c8-7(9)3-1-6(5-10)2-4-7/h6,10H,1-5H2
InChIKeyXJZNZSLOHZLFQP-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4,4-difluorocyclohexyl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)methanol (CID 21184133) is (4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)methanol is OCC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)methanol?
The InChIKey is XJZNZSLOHZLFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c8-7(9)3-1-6(5-10)2-4-7/h6,10H,1-5H2.
What are the key properties of (4,4-difluorocyclohexyl)methanol?
(4,4-difluorocyclohexyl)methanol has a molecular weight of 150.17 g/mol, XLogP of 1.80, 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 is sourced from PubChem (CID 21184133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).