2,2,4,4,5,5-hexafluoro-1,3-dioxolane

C3F6O2 — CID 23234846

IUPAC2,2,4,4,5,5-hexafluoro-1,3-dioxolane
SMILESFC1(F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C3F6O2/c4-1(5)2(6,7)11-3(8,9)10-1
InChIKeyKGLNKLTXFWKSLA-UHFFFAOYSA-N
MW182.02 g/mol
LogP1.77
Rot. Bonds

About 2,2,4,4,5,5-hexafluoro-1,3-dioxolane

2,2,4,4,5,5-hexafluoro-1,3-dioxolane (PubChem CID 23234846) has the molecular formula C3F6O2 and a molecular weight of 182.02 g/mol. Its IUPAC name is 2,2,4,4,5,5-hexafluoro-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,4,5,5-hexafluoro-1,3-dioxolane
PubChem CID23234846
Molecular FormulaC3F6O2
Molecular Weight182.02 g/mol
Exact Mass181.98
IUPAC Name2,2,4,4,5,5-hexafluoro-1,3-dioxolane
SMILESFC1(F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C3F6O2/c4-1(5)2(6,7)11-3(8,9)10-1
InChIKeyKGLNKLTXFWKSLA-UHFFFAOYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4,5-Pentafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-1,3-dioxolane
CID 10924481
Perfluoro-4-methyl-1,3-dioxolane
CID 11053484
Tetrafluorodioxolane
CID 12846006
2-(Difluoromethylene)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 22283745
2,4,4,5,5-Pentafluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 73057112
Fomblin z-15
CID 12837400
2,4,4,5,5-Pentafluoro-1,3-dioxolane
CID 12846016
4,4,5,5-Tetrafluoro-1,3-dioxolan-2-one
CID 13898159
4-Bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane
CID 19745410
4,4,5,5-Tetrafluoro-1,3-dioxolane-2-thione
CID 59128183
4-(Difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane
CID 89113198
[2-(Difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl] hypofluorite
CID 140600439

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5-hexafluoro-1,3-dioxolane?
The IUPAC name of 2,2,4,4,5,5-hexafluoro-1,3-dioxolane (CID 23234846) is 2,2,4,4,5,5-hexafluoro-1,3-dioxolane.
What is the SMILES notation for 2,2,4,4,5,5-hexafluoro-1,3-dioxolane?
The canonical SMILES for 2,2,4,4,5,5-hexafluoro-1,3-dioxolane is FC1(F)OC(F)(F)C(F)(F)O1.
What is the InChIKey of 2,2,4,4,5,5-hexafluoro-1,3-dioxolane?
The InChIKey is KGLNKLTXFWKSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O2/c4-1(5)2(6,7)11-3(8,9)10-1.
What are the key properties of 2,2,4,4,5,5-hexafluoro-1,3-dioxolane?
2,2,4,4,5,5-hexafluoro-1,3-dioxolane has a molecular weight of 182.02 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5-hexafluoro-1,3-dioxolane is sourced from PubChem (CID 23234846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).