3,5-dibromo-5-(bromomethyl)furan-2-one

C5H3Br3O2 — CID 11759452

IUPAC3,5-dibromo-5-(bromomethyl)furan-2-one
SMILESO=C1OC(Br)(CBr)C=C1Br
InChIInChI=1S/C5H3Br3O2/c6-2-5(8)1-3(7)4(9)10-5/h1H,2H2
InChIKeyOXJHNCZYDUENOJ-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.31
Rot. Bonds1

About 3,5-dibromo-5-(bromomethyl)furan-2-one

3,5-dibromo-5-(bromomethyl)furan-2-one (PubChem CID 11759452) has the molecular formula C5H3Br3O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is 3,5-dibromo-5-(bromomethyl)furan-2-one.

Molecular Properties

Compound Name3,5-dibromo-5-(bromomethyl)furan-2-one
PubChem CID11759452
Molecular FormulaC5H3Br3O2
Molecular Weight334.79 g/mol
Exact Mass331.77
IUPAC Name3,5-dibromo-5-(bromomethyl)furan-2-one
SMILESO=C1OC(Br)(CBr)C=C1Br
InChIInChI=1S/C5H3Br3O2/c6-2-5(8)1-3(7)4(9)10-5/h1H,2H2
InChIKeyOXJHNCZYDUENOJ-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-5-(bromomethyl)furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-5-(bromomethyl)furan-2-one
CID 11448224
4,5-Dibromo-5-methylfuran-2-one
CID 14708622
4-Bromo-5-(dibromomethyl)-5-hydroxyfuran-2-one
CID 21636744
5-Bromo-5-(dibromomethyl)-4-methylfuran-2-one
CID 9902929
3,5-Dibromo-5-(bromomethyl)-4-methylfuran-2-one
CID 9924469
4,5-Dibromo-5-(dibromomethyl)furan-2-one
CID 10273182
5-Bromo-5-(dibromomethyl)furan-2-one
CID 22287781
3,5-Dibromo-5-(bromomethyl)furan-2-one;hexane
CID 142103770
Butane;3,5-dibromo-5-(bromomethyl)furan-2-one
CID 142103791
3,8-Dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
CID 10018235
4,5-Dibromo-5-(bromomethyl)furan-2-one
CID 23240867
2,3,5-Tribromo-2,3-dihydropyran-6-one
CID 23271081

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-5-(bromomethyl)furan-2-one?
The IUPAC name of 3,5-dibromo-5-(bromomethyl)furan-2-one (CID 11759452) is 3,5-dibromo-5-(bromomethyl)furan-2-one.
What is the SMILES notation for 3,5-dibromo-5-(bromomethyl)furan-2-one?
The canonical SMILES for 3,5-dibromo-5-(bromomethyl)furan-2-one is O=C1OC(Br)(CBr)C=C1Br.
What is the InChIKey of 3,5-dibromo-5-(bromomethyl)furan-2-one?
The InChIKey is OXJHNCZYDUENOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br3O2/c6-2-5(8)1-3(7)4(9)10-5/h1H,2H2.
What are the key properties of 3,5-dibromo-5-(bromomethyl)furan-2-one?
3,5-dibromo-5-(bromomethyl)furan-2-one has a molecular weight of 334.79 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-5-(bromomethyl)furan-2-one is sourced from PubChem (CID 11759452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).