3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one

C8H9Br3O2 — CID 23396655

IUPAC3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one
SMILESCCCC1=C(Br)C(=O)OC1(Br)CBr
InChIInChI=1S/C8H9Br3O2/c1-2-3-5-6(10)7(12)13-8(5,11)4-9/h2-4H2,1H3
InChIKeyUFTXCLNLFSGSRY-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.48
Rot. Bonds3

About 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one

3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one (PubChem CID 23396655) has the molecular formula C8H9Br3O2 and a molecular weight of 376.87 g/mol. Its IUPAC name is 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one.

Molecular Properties

Compound Name3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one
PubChem CID23396655
Molecular FormulaC8H9Br3O2
Molecular Weight376.87 g/mol
Exact Mass373.82
IUPAC Name3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one
SMILESCCCC1=C(Br)C(=O)OC1(Br)CBr
InChIInChI=1S/C8H9Br3O2/c1-2-3-5-6(10)7(12)13-8(5,11)4-9/h2-4H2,1H3
InChIKeyUFTXCLNLFSGSRY-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.48
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)-4-propylfuran-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

4,5-Dibromo-5-(bromomethyl)-3-butylfuran-2-one
CID 21636736
4-bromo-3-butyl-2H-furan-5-one
CID 15530807
3-Bromo-5-(bromomethyl)-5-methoxy-4-propylfuran-2-one
CID 9880468
(5Z)-3-bromo-5-(bromomethylidene)-4-propylfuran-2-one
CID 9922199
3,5-Dibromo-5-(bromomethyl)-4-methylfuran-2-one
CID 9924469
(5Z)-3-bromo-5-(bromomethylidene)-4-butylfuran-2-one
CID 9926676
3-Bromo-5-methylidene-4-propylfuran-2-one
CID 9964491
5-Bromo-5-(dibromomethyl)-4-propylfuran-2-one
CID 10134161
3,5-Dibromo-5-(bromomethyl)-4-heptylfuran-2-one
CID 10159956
3,5-Dibromo-4-butyl-5-(dibromomethyl)furan-2-one
CID 10162260
3-Bromo-4-butyl-5-methylidenefuran-2-one
CID 22287785
3,5-Dibromo-5-(bromomethyl)-4-butylfuran-2-one
CID 22287800

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one?
The IUPAC name of 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one (CID 23396655) is 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one.
What is the SMILES notation for 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one?
The canonical SMILES for 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one is CCCC1=C(Br)C(=O)OC1(Br)CBr.
What is the InChIKey of 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one?
The InChIKey is UFTXCLNLFSGSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br3O2/c1-2-3-5-6(10)7(12)13-8(5,11)4-9/h2-4H2,1H3.
What are the key properties of 3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one?
3,5-dibromo-5-(bromomethyl)-4-propylfuran-2-one has a molecular weight of 376.87 g/mol, XLogP of 3.48, 3 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)-4-propylfuran-2-one is sourced from PubChem (CID 23396655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).