2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane

C3Br2F4O2 — CID 142632714

IUPAC2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane
SMILESFC1(F)OC(Br)(Br)OC1(F)F
InChIInChI=1S/C3Br2F4O2/c4-3(5)10-1(6,7)2(8,9)11-3
InChIKeyMMXBNRYKHFECRD-UHFFFAOYSA-N
MW303.83 g/mol
LogP2.62
Rot. Bonds

About 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane

2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane (PubChem CID 142632714) has the molecular formula C3Br2F4O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane
PubChem CID142632714
Molecular FormulaC3Br2F4O2
Molecular Weight303.83 g/mol
Exact Mass301.82
IUPAC Name2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane
SMILESFC1(F)OC(Br)(Br)OC1(F)F
InChIInChI=1S/C3Br2F4O2/c4-3(5)10-1(6,7)2(8,9)11-3
InChIKeyMMXBNRYKHFECRD-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane?
The IUPAC name of 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane (CID 142632714) is 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane.
What is the SMILES notation for 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane?
The canonical SMILES for 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane is FC1(F)OC(Br)(Br)OC1(F)F.
What is the InChIKey of 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane?
The InChIKey is MMXBNRYKHFECRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Br2F4O2/c4-3(5)10-1(6,7)2(8,9)11-3.
What are the key properties of 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane?
2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane has a molecular weight of 303.83 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane is sourced from PubChem (CID 142632714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).