4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one

C5H4Br2O3 — CID 23240866

IUPAC4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one
SMILESO=C1C=C(Br)C(O)(CBr)O1
InChIInChI=1S/C5H4Br2O3/c6-2-5(9)3(7)1-4(8)10-5/h1,9H,2H2
InChIKeyNCVCHJDHEYPZBE-UHFFFAOYSA-N
MW271.89 g/mol
LogP0.91
Rot. Bonds1

About 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one

4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one (PubChem CID 23240866) has the molecular formula C5H4Br2O3 and a molecular weight of 271.89 g/mol. Its IUPAC name is 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one.

Molecular Properties

Compound Name4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one
PubChem CID23240866
Molecular FormulaC5H4Br2O3
Molecular Weight271.89 g/mol
Exact Mass269.85
IUPAC Name4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one
SMILESO=C1C=C(Br)C(O)(CBr)O1
InChIInChI=1S/C5H4Br2O3/c6-2-5(9)3(7)1-4(8)10-5/h1,9H,2H2
InChIKeyNCVCHJDHEYPZBE-UHFFFAOYSA-N
XLogP0.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.89
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one?
The IUPAC name of 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one (CID 23240866) is 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one.
What is the SMILES notation for 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one?
The canonical SMILES for 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one is O=C1C=C(Br)C(O)(CBr)O1.
What is the InChIKey of 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one?
The InChIKey is NCVCHJDHEYPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2O3/c6-2-5(9)3(7)1-4(8)10-5/h1,9H,2H2.
What are the key properties of 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one?
4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one has a molecular weight of 271.89 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(bromomethyl)-5-hydroxyfuran-2-one is sourced from PubChem (CID 23240866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).