4,4-difluoro-1,3-dioxolane

C3H4F2O2 — CID 23529928

IUPAC4,4-difluoro-1,3-dioxolane
SMILESFC1(F)COCO1
InChIInChI=1S/C3H4F2O2/c4-3(5)1-6-2-7-3/h1-2H2
InChIKeyHFGDOXLCSSYEAS-UHFFFAOYSA-N
MW110.06 g/mol
LogP0.58
Rot. Bonds

About 4,4-difluoro-1,3-dioxolane

4,4-difluoro-1,3-dioxolane (PubChem CID 23529928) has the molecular formula C3H4F2O2 and a molecular weight of 110.06 g/mol. Its IUPAC name is 4,4-difluoro-1,3-dioxolane.

Molecular Properties

Compound Name4,4-difluoro-1,3-dioxolane
PubChem CID23529928
Molecular FormulaC3H4F2O2
Molecular Weight110.06 g/mol
Exact Mass110.02
IUPAC Name4,4-difluoro-1,3-dioxolane
SMILESFC1(F)COCO1
InChIInChI=1S/C3H4F2O2/c4-3(5)1-6-2-7-3/h1-2H2
InChIKeyHFGDOXLCSSYEAS-UHFFFAOYSA-N
XLogP0.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.06
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,3-dioxolane?
The IUPAC name of 4,4-difluoro-1,3-dioxolane (CID 23529928) is 4,4-difluoro-1,3-dioxolane.
What is the SMILES notation for 4,4-difluoro-1,3-dioxolane?
The canonical SMILES for 4,4-difluoro-1,3-dioxolane is FC1(F)COCO1.
What is the InChIKey of 4,4-difluoro-1,3-dioxolane?
The InChIKey is HFGDOXLCSSYEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O2/c4-3(5)1-6-2-7-3/h1-2H2.
What are the key properties of 4,4-difluoro-1,3-dioxolane?
4,4-difluoro-1,3-dioxolane has a molecular weight of 110.06 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,3-dioxolane is sourced from PubChem (CID 23529928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).