1-(4-bromofuran-2-yl)ethanone

C6H5BrO2 — CID 13465705

IUPAC1-(4-bromofuran-2-yl)ethanone
SMILESCC(=O)c1cc(Br)co1
InChIInChI=1S/C6H5BrO2/c1-4(8)6-2-5(7)3-9-6/h2-3H,1H3
InChIKeyGZKKMOATJGYHHT-UHFFFAOYSA-N
MW189.01 g/mol
LogP2.24
Rot. Bonds1

About 1-(4-bromofuran-2-yl)ethanone

1-(4-bromofuran-2-yl)ethanone (PubChem CID 13465705) has the molecular formula C6H5BrO2 and a molecular weight of 189.01 g/mol. Its IUPAC name is 1-(4-bromofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromofuran-2-yl)ethanone
PubChem CID13465705
Molecular FormulaC6H5BrO2
Molecular Weight189.01 g/mol
Exact Mass187.95
IUPAC Name1-(4-bromofuran-2-yl)ethanone
SMILESCC(=O)c1cc(Br)co1
InChIInChI=1S/C6H5BrO2/c1-4(8)6-2-5(7)3-9-6/h2-3H,1H3
InChIKeyGZKKMOATJGYHHT-UHFFFAOYSA-N
XLogP2.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromofuran-2-yl)ethanone?
The IUPAC name of 1-(4-bromofuran-2-yl)ethanone (CID 13465705) is 1-(4-bromofuran-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromofuran-2-yl)ethanone?
The canonical SMILES for 1-(4-bromofuran-2-yl)ethanone is CC(=O)c1cc(Br)co1.
What is the InChIKey of 1-(4-bromofuran-2-yl)ethanone?
The InChIKey is GZKKMOATJGYHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2/c1-4(8)6-2-5(7)3-9-6/h2-3H,1H3.
What are the key properties of 1-(4-bromofuran-2-yl)ethanone?
1-(4-bromofuran-2-yl)ethanone has a molecular weight of 189.01 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromofuran-2-yl)ethanone is sourced from PubChem (CID 13465705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).