3-bromofuran-2-carbonyl bromide

C5H2Br2O2 — CID 88622824

IUPAC3-bromofuran-2-carbonyl bromide
SMILESO=C(Br)c1occc1Br
InChIInChI=1S/C5H2Br2O2/c6-3-1-2-9-4(3)5(7)8/h1-2H
InChIKeyRUFXWDGLUHGXIV-UHFFFAOYSA-N
MW253.88 g/mol
LogP2.58
Rot. Bonds1

About 3-bromofuran-2-carbonyl bromide

3-bromofuran-2-carbonyl bromide (PubChem CID 88622824) has the molecular formula C5H2Br2O2 and a molecular weight of 253.88 g/mol. Its IUPAC name is 3-bromofuran-2-carbonyl bromide.

Molecular Properties

Compound Name3-bromofuran-2-carbonyl bromide
PubChem CID88622824
Molecular FormulaC5H2Br2O2
Molecular Weight253.88 g/mol
Exact Mass251.84
IUPAC Name3-bromofuran-2-carbonyl bromide
SMILESO=C(Br)c1occc1Br
InChIInChI=1S/C5H2Br2O2/c6-3-1-2-9-4(3)5(7)8/h1-2H
InChIKeyRUFXWDGLUHGXIV-UHFFFAOYSA-N
XLogP2.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.88
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromofuran-2-carbonyl bromide?
The IUPAC name of 3-bromofuran-2-carbonyl bromide (CID 88622824) is 3-bromofuran-2-carbonyl bromide.
What is the SMILES notation for 3-bromofuran-2-carbonyl bromide?
The canonical SMILES for 3-bromofuran-2-carbonyl bromide is O=C(Br)c1occc1Br.
What is the InChIKey of 3-bromofuran-2-carbonyl bromide?
The InChIKey is RUFXWDGLUHGXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2O2/c6-3-1-2-9-4(3)5(7)8/h1-2H.
What are the key properties of 3-bromofuran-2-carbonyl bromide?
3-bromofuran-2-carbonyl bromide has a molecular weight of 253.88 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromofuran-2-carbonyl bromide is sourced from PubChem (CID 88622824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).