4,5-dibromo-5-(dibromomethyl)furan-2-one

C5H2Br4O2 — CID 10273182

IUPAC4,5-dibromo-5-(dibromomethyl)furan-2-one
SMILESO=C1C=C(Br)C(Br)(C(Br)Br)O1
InChIInChI=1S/C5H2Br4O2/c6-2-1-3(10)11-5(2,9)4(7)8/h1,4H
InChIKeyDZMLLYUUWBEQCA-UHFFFAOYSA-N
MW413.69 g/mol
LogP3.03
Rot. Bonds1

About 4,5-dibromo-5-(dibromomethyl)furan-2-one

4,5-dibromo-5-(dibromomethyl)furan-2-one (PubChem CID 10273182) has the molecular formula C5H2Br4O2 and a molecular weight of 413.69 g/mol. Its IUPAC name is 4,5-dibromo-5-(dibromomethyl)furan-2-one.

Molecular Properties

Compound Name4,5-dibromo-5-(dibromomethyl)furan-2-one
PubChem CID10273182
Molecular FormulaC5H2Br4O2
Molecular Weight413.69 g/mol
Exact Mass409.68
IUPAC Name4,5-dibromo-5-(dibromomethyl)furan-2-one
SMILESO=C1C=C(Br)C(Br)(C(Br)Br)O1
InChIInChI=1S/C5H2Br4O2/c6-2-1-3(10)11-5(2,9)4(7)8/h1,4H
InChIKeyDZMLLYUUWBEQCA-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.69
LogP ≤ 53.03
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

4,5-Dibromo-5-(dibromomethyl)-3-methylfuran-2-one
CID 44447105
3,5-Dibromo-5-(bromomethyl)furan-2-one
CID 11759452
4,9-Dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione
CID 10041021
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
5-Bromo-5-(dibromomethyl)furan-2-one
CID 22287781
3,5-Dibromo-5-(dibromomethyl)-4-methylfuran-2-one
CID 22287782
3-bromo-2-(1-bromoethenyl)-2H-furan-5-one
CID 175576917
4-Bromo-5-(bromomethyl)-5-hydroxyfuran-2-one
CID 23240866
4,5-Dibromo-5-(bromomethyl)furan-2-one
CID 23240867

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-5-(dibromomethyl)furan-2-one?
The IUPAC name of 4,5-dibromo-5-(dibromomethyl)furan-2-one (CID 10273182) is 4,5-dibromo-5-(dibromomethyl)furan-2-one.
What is the SMILES notation for 4,5-dibromo-5-(dibromomethyl)furan-2-one?
The canonical SMILES for 4,5-dibromo-5-(dibromomethyl)furan-2-one is O=C1C=C(Br)C(Br)(C(Br)Br)O1.
What is the InChIKey of 4,5-dibromo-5-(dibromomethyl)furan-2-one?
The InChIKey is DZMLLYUUWBEQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br4O2/c6-2-1-3(10)11-5(2,9)4(7)8/h1,4H.
What are the key properties of 4,5-dibromo-5-(dibromomethyl)furan-2-one?
4,5-dibromo-5-(dibromomethyl)furan-2-one has a molecular weight of 413.69 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-5-(dibromomethyl)furan-2-one is sourced from PubChem (CID 10273182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).