2,2-difluoro-1,4-dioxane

C4H6F2O2 — CID 22094288

IUPAC2,2-difluoro-1,4-dioxane
SMILESFC1(F)COCCO1
InChIInChI=1S/C4H6F2O2/c5-4(6)3-7-1-2-8-4/h1-3H2
InChIKeyZEBAPYWJINOXAA-UHFFFAOYSA-N
MW124.09 g/mol
LogP0.63
Rot. Bonds

About 2,2-difluoro-1,4-dioxane

2,2-difluoro-1,4-dioxane (PubChem CID 22094288) has the molecular formula C4H6F2O2 and a molecular weight of 124.09 g/mol. Its IUPAC name is 2,2-difluoro-1,4-dioxane.

Molecular Properties

Compound Name2,2-difluoro-1,4-dioxane
PubChem CID22094288
Molecular FormulaC4H6F2O2
Molecular Weight124.09 g/mol
Exact Mass124.03
IUPAC Name2,2-difluoro-1,4-dioxane
SMILESFC1(F)COCCO1
InChIInChI=1S/C4H6F2O2/c5-4(6)3-7-1-2-8-4/h1-3H2
InChIKeyZEBAPYWJINOXAA-UHFFFAOYSA-N
XLogP0.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-1,4-dioxane 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 2,2-difluoro-1,4-dioxane?
The IUPAC name of 2,2-difluoro-1,4-dioxane (CID 22094288) is 2,2-difluoro-1,4-dioxane.
What is the SMILES notation for 2,2-difluoro-1,4-dioxane?
The canonical SMILES for 2,2-difluoro-1,4-dioxane is FC1(F)COCCO1.
What is the InChIKey of 2,2-difluoro-1,4-dioxane?
The InChIKey is ZEBAPYWJINOXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O2/c5-4(6)3-7-1-2-8-4/h1-3H2.
What are the key properties of 2,2-difluoro-1,4-dioxane?
2,2-difluoro-1,4-dioxane has a molecular weight of 124.09 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,4-dioxane is sourced from PubChem (CID 22094288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).