[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol

C6H10F2O2 — CID 121207762

IUPAC[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol
SMILESOCC1(CO)CC(F)(F)C1
InChIInChI=1S/C6H10F2O2/c7-6(8)1-5(2-6,3-9)4-10/h9-10H,1-4H2
InChIKeySHAHXNBOHWBVGV-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.39
Rot. Bonds2

About [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol

[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol (PubChem CID 121207762) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol
PubChem CID121207762
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol
SMILESOCC1(CO)CC(F)(F)C1
InChIInChI=1S/C6H10F2O2/c7-6(8)1-5(2-6,3-9)4-10/h9-10H,1-4H2
InChIKeySHAHXNBOHWBVGV-UHFFFAOYSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]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 [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol?
The IUPAC name of [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol (CID 121207762) is [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol.
What is the SMILES notation for [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol?
The canonical SMILES for [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol is OCC1(CO)CC(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol?
The InChIKey is SHAHXNBOHWBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c7-6(8)1-5(2-6,3-9)4-10/h9-10H,1-4H2.
What are the key properties of [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol?
[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol has a molecular weight of 152.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methanol is sourced from PubChem (CID 121207762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).