4,5-dibromo-5-methylfuran-2-one

C5H4Br2O2 — CID 14708622

IUPAC4,5-dibromo-5-methylfuran-2-one
SMILESCC1(Br)OC(=O)C=C1Br
InChIInChI=1S/C5H4Br2O2/c1-5(7)3(6)2-4(8)9-5/h2H,1H3
InChIKeyRUBIRTPHYHFWHU-UHFFFAOYSA-N
MW255.89 g/mol
LogP1.93
Rot. Bonds

About 4,5-dibromo-5-methylfuran-2-one

4,5-dibromo-5-methylfuran-2-one (PubChem CID 14708622) has the molecular formula C5H4Br2O2 and a molecular weight of 255.89 g/mol. Its IUPAC name is 4,5-dibromo-5-methylfuran-2-one.

Molecular Properties

Compound Name4,5-dibromo-5-methylfuran-2-one
PubChem CID14708622
Molecular FormulaC5H4Br2O2
Molecular Weight255.89 g/mol
Exact Mass253.86
IUPAC Name4,5-dibromo-5-methylfuran-2-one
SMILESCC1(Br)OC(=O)C=C1Br
InChIInChI=1S/C5H4Br2O2/c1-5(7)3(6)2-4(8)9-5/h2H,1H3
InChIKeyRUBIRTPHYHFWHU-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.89
LogP ≤ 51.93
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-Bromo-5-methylfuran-2(5H)-one
CID 3018649
4,5-Dibromo-5-(dibromomethyl)-3-methylfuran-2-one
CID 44447105
3,5-Dibromo-5-(bromomethyl)furan-2-one
CID 11759452
4-bromo-5-methyl-2(5H)-furanone
CID 14708620
4,9-Dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
CID 10041021
(2S)-4-bromo-2-methyl-2H-furan-5-one
CID 11446649
5-Bromo-5-(bromomethyl)furan-2-one
CID 11448224
Upkjetqbkvkhgy-uhfffaoysa-
CID 14785093
InChI=1/C5H5BrO3/c1-5(8)3(6)2-4(7)9-5/h2,8H,1H
CID 14785094
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

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-5-methylfuran-2-one?
The IUPAC name of 4,5-dibromo-5-methylfuran-2-one (CID 14708622) is 4,5-dibromo-5-methylfuran-2-one.
What is the SMILES notation for 4,5-dibromo-5-methylfuran-2-one?
The canonical SMILES for 4,5-dibromo-5-methylfuran-2-one is CC1(Br)OC(=O)C=C1Br.
What is the InChIKey of 4,5-dibromo-5-methylfuran-2-one?
The InChIKey is RUBIRTPHYHFWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2O2/c1-5(7)3(6)2-4(8)9-5/h2H,1H3.
What are the key properties of 4,5-dibromo-5-methylfuran-2-one?
4,5-dibromo-5-methylfuran-2-one has a molecular weight of 255.89 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-5-methylfuran-2-one is sourced from PubChem (CID 14708622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).