4-bromo-5-(dibromomethylidene)furan-2-one

C5HBr3O2 — CID 10131689

IUPAC4-bromo-5-(dibromomethylidene)furan-2-one
SMILESO=C1C=C(Br)C(=C(Br)Br)O1
InChIInChI=1S/C5HBr3O2/c6-2-1-3(9)10-4(2)5(7)8/h1H
InChIKeyIVTQGVVTNAYEBO-UHFFFAOYSA-N
MW332.77 g/mol
LogP2.78
Rot. Bonds

About 4-bromo-5-(dibromomethylidene)furan-2-one

4-bromo-5-(dibromomethylidene)furan-2-one (PubChem CID 10131689) has the molecular formula C5HBr3O2 and a molecular weight of 332.77 g/mol. Its IUPAC name is 4-bromo-5-(dibromomethylidene)furan-2-one.

Molecular Properties

Compound Name4-bromo-5-(dibromomethylidene)furan-2-one
PubChem CID10131689
Molecular FormulaC5HBr3O2
Molecular Weight332.77 g/mol
Exact Mass329.75
IUPAC Name4-bromo-5-(dibromomethylidene)furan-2-one
SMILESO=C1C=C(Br)C(=C(Br)Br)O1
InChIInChI=1S/C5HBr3O2/c6-2-1-3(9)10-4(2)5(7)8/h1H
InChIKeyIVTQGVVTNAYEBO-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(dibromomethylidene)furan-2-one?
The IUPAC name of 4-bromo-5-(dibromomethylidene)furan-2-one (CID 10131689) is 4-bromo-5-(dibromomethylidene)furan-2-one.
What is the SMILES notation for 4-bromo-5-(dibromomethylidene)furan-2-one?
The canonical SMILES for 4-bromo-5-(dibromomethylidene)furan-2-one is O=C1C=C(Br)C(=C(Br)Br)O1.
What is the InChIKey of 4-bromo-5-(dibromomethylidene)furan-2-one?
The InChIKey is IVTQGVVTNAYEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBr3O2/c6-2-1-3(9)10-4(2)5(7)8/h1H.
What are the key properties of 4-bromo-5-(dibromomethylidene)furan-2-one?
4-bromo-5-(dibromomethylidene)furan-2-one has a molecular weight of 332.77 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(dibromomethylidene)furan-2-one is sourced from PubChem (CID 10131689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).