4-bromo-2H-furan-5-one

C4H3BrO2 — CID 3018648

IUPAC4-bromo-2H-furan-5-one
SMILESO=C1OCC=C1Br
InChIInChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2
InChIKeyQSYHSDNIQZDYGF-UHFFFAOYSA-N
MW162.97 g/mol
LogP0.82
Rot. Bonds

About 4-bromo-2H-furan-5-one

4-bromo-2H-furan-5-one (PubChem CID 3018648) has the molecular formula C4H3BrO2 and a molecular weight of 162.97 g/mol. Its IUPAC name is 4-bromo-2H-furan-5-one.

Molecular Properties

Compound Name4-bromo-2H-furan-5-one
PubChem CID3018648
Molecular FormulaC4H3BrO2
Molecular Weight162.97 g/mol
Exact Mass161.93
IUPAC Name4-bromo-2H-furan-5-one
SMILESO=C1OCC=C1Br
InChIInChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2
InChIKeyQSYHSDNIQZDYGF-UHFFFAOYSA-N
XLogP0.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.97
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2H-furan-5-one?
The IUPAC name of 4-bromo-2H-furan-5-one (CID 3018648) is 4-bromo-2H-furan-5-one.
What is the SMILES notation for 4-bromo-2H-furan-5-one?
The canonical SMILES for 4-bromo-2H-furan-5-one is O=C1OCC=C1Br.
What is the InChIKey of 4-bromo-2H-furan-5-one?
The InChIKey is QSYHSDNIQZDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2.
What are the key properties of 4-bromo-2H-furan-5-one?
4-bromo-2H-furan-5-one has a molecular weight of 162.97 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2H-furan-5-one is sourced from PubChem (CID 3018648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).