4,4-difluoro-2-methyloxolan-2-ol

C5H8F2O2 — CID 134439301

IUPAC4,4-difluoro-2-methyloxolan-2-ol
SMILESCC1(O)CC(F)(F)CO1
InChIInChI=1S/C5H8F2O2/c1-4(8)2-5(6,7)3-9-4/h8H,2-3H2,1H3
InChIKeyJQUBXVYIUGJWPT-UHFFFAOYSA-N
MW138.11 g/mol
LogP0.75
Rot. Bonds

About 4,4-difluoro-2-methyloxolan-2-ol

4,4-difluoro-2-methyloxolan-2-ol (PubChem CID 134439301) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 4,4-difluoro-2-methyloxolan-2-ol.

Molecular Properties

Compound Name4,4-difluoro-2-methyloxolan-2-ol
PubChem CID134439301
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name4,4-difluoro-2-methyloxolan-2-ol
SMILESCC1(O)CC(F)(F)CO1
InChIInChI=1S/C5H8F2O2/c1-4(8)2-5(6,7)3-9-4/h8H,2-3H2,1H3
InChIKeyJQUBXVYIUGJWPT-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-2-methyloxolan-2-ol 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-difluoro-2-methyloxolan-2-ol?
The IUPAC name of 4,4-difluoro-2-methyloxolan-2-ol (CID 134439301) is 4,4-difluoro-2-methyloxolan-2-ol.
What is the SMILES notation for 4,4-difluoro-2-methyloxolan-2-ol?
The canonical SMILES for 4,4-difluoro-2-methyloxolan-2-ol is CC1(O)CC(F)(F)CO1.
What is the InChIKey of 4,4-difluoro-2-methyloxolan-2-ol?
The InChIKey is JQUBXVYIUGJWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c1-4(8)2-5(6,7)3-9-4/h8H,2-3H2,1H3.
What are the key properties of 4,4-difluoro-2-methyloxolan-2-ol?
4,4-difluoro-2-methyloxolan-2-ol has a molecular weight of 138.11 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methyloxolan-2-ol is sourced from PubChem (CID 134439301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).