1-(3-bromofuran-2-yl)ethanone

C6H5BrO2 — CID 11321414

IUPAC1-(3-bromofuran-2-yl)ethanone
SMILESCC(=O)c1occc1Br
InChIInChI=1S/C6H5BrO2/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3
InChIKeyQPZZLTOSEPARRM-UHFFFAOYSA-N
MW189.01 g/mol
LogP2.24
Rot. Bonds1

About 1-(3-bromofuran-2-yl)ethanone

1-(3-bromofuran-2-yl)ethanone (PubChem CID 11321414) has the molecular formula C6H5BrO2 and a molecular weight of 189.01 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)ethanone
PubChem CID11321414
Molecular FormulaC6H5BrO2
Molecular Weight189.01 g/mol
Exact Mass187.95
IUPAC Name1-(3-bromofuran-2-yl)ethanone
SMILESCC(=O)c1occc1Br
InChIInChI=1S/C6H5BrO2/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3
InChIKeyQPZZLTOSEPARRM-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

Analyze 1-(3-bromofuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)ethanone?
The IUPAC name of 1-(3-bromofuran-2-yl)ethanone (CID 11321414) is 1-(3-bromofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromofuran-2-yl)ethanone?
The canonical SMILES for 1-(3-bromofuran-2-yl)ethanone is CC(=O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)ethanone?
The InChIKey is QPZZLTOSEPARRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)ethanone?
1-(3-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-(3-bromofuran-2-yl)ethanone is sourced from PubChem (CID 11321414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).