5-bromo-5-(bromomethyl)furan-2-one

C5H4Br2O2 — CID 11448224

IUPAC5-bromo-5-(bromomethyl)furan-2-one
SMILESO=C1C=CC(Br)(CBr)O1
InChIInChI=1S/C5H4Br2O2/c6-3-5(7)2-1-4(8)9-5/h1-2H,3H2
InChIKeyOATKQYMLUBIPDK-UHFFFAOYSA-N
MW255.89 g/mol
LogP1.59
Rot. Bonds1

About 5-bromo-5-(bromomethyl)furan-2-one

5-bromo-5-(bromomethyl)furan-2-one (PubChem CID 11448224) has the molecular formula C5H4Br2O2 and a molecular weight of 255.89 g/mol. Its IUPAC name is 5-bromo-5-(bromomethyl)furan-2-one.

Molecular Properties

Compound Name5-bromo-5-(bromomethyl)furan-2-one
PubChem CID11448224
Molecular FormulaC5H4Br2O2
Molecular Weight255.89 g/mol
Exact Mass253.86
IUPAC Name5-bromo-5-(bromomethyl)furan-2-one
SMILESO=C1C=CC(Br)(CBr)O1
InChIInChI=1S/C5H4Br2O2/c6-3-5(7)2-1-4(8)9-5/h1-2H,3H2
InChIKeyOATKQYMLUBIPDK-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.89
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dibromo-5-(bromomethyl)furan-2-one
CID 11759452
5-(bromomethyl)furan-2(5H)-one
CID 12706681
4,5-Dibromo-5-methylfuran-2-one
CID 14708622
ethyl (E)-4,5-dibromopent-2-enoate
CID 102332865
(2S)-2-[(1R)-1-bromoethyl]-2H-furan-5-one
CID 130835071
5-Bromo-5-(dibromomethyl)-4-methylfuran-2-one
CID 9902929
4,5-Dibromo-5-(dibromomethyl)furan-2-one
CID 10273182
4-Bromo-5,5-dimethylfuran-2-one
CID 12671960
2,3-Dibromo-2,3-dihydropyran-6-one
CID 13541284
5-Bromo-5-(dibromomethyl)furan-2-one
CID 22287781
5-Bromo-5-methylfuran-2(5H)-one
CID 24973042
5-(Bromomethyl)-5-methylfuran-2-one
CID 142103790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-5-(bromomethyl)furan-2-one?
The IUPAC name of 5-bromo-5-(bromomethyl)furan-2-one (CID 11448224) is 5-bromo-5-(bromomethyl)furan-2-one.
What is the SMILES notation for 5-bromo-5-(bromomethyl)furan-2-one?
The canonical SMILES for 5-bromo-5-(bromomethyl)furan-2-one is O=C1C=CC(Br)(CBr)O1.
What is the InChIKey of 5-bromo-5-(bromomethyl)furan-2-one?
The InChIKey is OATKQYMLUBIPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2O2/c6-3-5(7)2-1-4(8)9-5/h1-2H,3H2.
What are the key properties of 5-bromo-5-(bromomethyl)furan-2-one?
5-bromo-5-(bromomethyl)furan-2-one has a molecular weight of 255.89 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5-(bromomethyl)furan-2-one is sourced from PubChem (CID 11448224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).