2,2,5,5-tetrabromofuran

C4H2Br4O — CID 23405377

IUPAC2,2,5,5-tetrabromofuran
SMILESBrC1(Br)C=CC(Br)(Br)O1
InChIInChI=1S/C4H2Br4O/c5-3(6)1-2-4(7,8)9-3/h1-2H
InChIKeyCCHNPEWUMQGSFG-UHFFFAOYSA-N
MW385.68 g/mol
LogP3.46
Rot. Bonds

About 2,2,5,5-tetrabromofuran

2,2,5,5-tetrabromofuran (PubChem CID 23405377) has the molecular formula C4H2Br4O and a molecular weight of 385.68 g/mol. Its IUPAC name is 2,2,5,5-tetrabromofuran.

Molecular Properties

Compound Name2,2,5,5-tetrabromofuran
PubChem CID23405377
Molecular FormulaC4H2Br4O
Molecular Weight385.68 g/mol
Exact Mass381.68
IUPAC Name2,2,5,5-tetrabromofuran
SMILESBrC1(Br)C=CC(Br)(Br)O1
InChIInChI=1S/C4H2Br4O/c5-3(6)1-2-4(7,8)9-3/h1-2H
InChIKeyCCHNPEWUMQGSFG-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrabromofuran?
The IUPAC name of 2,2,5,5-tetrabromofuran (CID 23405377) is 2,2,5,5-tetrabromofuran.
What is the SMILES notation for 2,2,5,5-tetrabromofuran?
The canonical SMILES for 2,2,5,5-tetrabromofuran is BrC1(Br)C=CC(Br)(Br)O1.
What is the InChIKey of 2,2,5,5-tetrabromofuran?
The InChIKey is CCHNPEWUMQGSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br4O/c5-3(6)1-2-4(7,8)9-3/h1-2H.
What are the key properties of 2,2,5,5-tetrabromofuran?
2,2,5,5-tetrabromofuran has a molecular weight of 385.68 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrabromofuran is sourced from PubChem (CID 23405377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).