4,5-difluoro-1,3-dioxolane

C3H4F2O2 — CID 21479543

IUPAC4,5-difluoro-1,3-dioxolane
SMILESFC1OCOC1F
InChIInChI=1S/C3H4F2O2/c4-2-3(5)7-1-6-2/h2-3H,1H2
InChIKeyWQERCJSFRIWUJW-UHFFFAOYSA-N
MW110.06 g/mol
LogP0.58
Rot. Bonds

About 4,5-difluoro-1,3-dioxolane

4,5-difluoro-1,3-dioxolane (PubChem CID 21479543) has the molecular formula C3H4F2O2 and a molecular weight of 110.06 g/mol. Its IUPAC name is 4,5-difluoro-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-1,3-dioxolane
PubChem CID21479543
Molecular FormulaC3H4F2O2
Molecular Weight110.06 g/mol
Exact Mass110.02
IUPAC Name4,5-difluoro-1,3-dioxolane
SMILESFC1OCOC1F
InChIInChI=1S/C3H4F2O2/c4-2-3(5)7-1-6-2/h2-3H,1H2
InChIKeyWQERCJSFRIWUJW-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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Related Compounds

1,3-Dioxolane
CID 12586
2-(Trifluoromethyl)-1,3-dioxolane
CID 3642049
Fluorodioxolane
CID 12100504
2-Fluoromethyl-1,3-dioxolane
CID 18927539
2,2-Dideutero-1,3-dioxolane
CID 23260875
CID 13101938
CID 13101938
2-(Difluoromethyl)-2-fluoro-1,3-dioxolane
CID 18923914
2-Fluoro-2-(fluoromethyl)-1,3-dioxolane
CID 18923920
2,2-Difluoro-1,3-dioxolane
CID 21955827
4,4-Difluoro-1,3-dioxolane
CID 23529928
4-Fluoro-5-(fluoromethyl)-1,3-dioxolane
CID 59550057
2-(Difluoromethyl)-1,3-dioxolane
CID 68423467

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-1,3-dioxolane (CID 21479543) is 4,5-difluoro-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-1,3-dioxolane is FC1OCOC1F.
What is the InChIKey of 4,5-difluoro-1,3-dioxolane?
The InChIKey is WQERCJSFRIWUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O2/c4-2-3(5)7-1-6-2/h2-3H,1H2.
What are the key properties of 4,5-difluoro-1,3-dioxolane?
4,5-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 4,5-difluoro-1,3-dioxolane is sourced from PubChem (CID 21479543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).