2-bromo-1-(2-methylfuran-3-yl)ethanone

C7H7BrO2 — CID 75360830

IUPAC2-bromo-1-(2-methylfuran-3-yl)ethanone
SMILESCc1occc1C(=O)CBr
InChIInChI=1S/C7H7BrO2/c1-5-6(2-3-10-5)7(9)4-8/h2-3H,4H2,1H3
InChIKeyUDMWYGQHENPQCN-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.17
Rot. Bonds2

About 2-bromo-1-(2-methylfuran-3-yl)ethanone

2-bromo-1-(2-methylfuran-3-yl)ethanone (PubChem CID 75360830) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is 2-bromo-1-(2-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-methylfuran-3-yl)ethanone
PubChem CID75360830
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name2-bromo-1-(2-methylfuran-3-yl)ethanone
SMILESCc1occc1C(=O)CBr
InChIInChI=1S/C7H7BrO2/c1-5-6(2-3-10-5)7(9)4-8/h2-3H,4H2,1H3
InChIKeyUDMWYGQHENPQCN-UHFFFAOYSA-N
XLogP2.17
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(2-methylfuran-3-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

Related Compounds

2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
1-(2-methylfuran-3-yl)pent-3-yn-1-one
CID 104789229
1-(2-methylfuran-3-yl)pent-4-yn-1-one
CID 104789266
1-(2-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
1-(2-methylfuran-3-yl)tridecan-1-one
CID 104789237
CID 140659686
CID 140659686
1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
CID 165037086
2-methyl-1-(2-methylfuran-3-yl)propan-1-one
CID 104789309
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
CID 115481887
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 102787648
iodo 2-methylfuran-3-carboxylate
CID 126570406

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-methylfuran-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(2-methylfuran-3-yl)ethanone (CID 75360830) is 2-bromo-1-(2-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2-methylfuran-3-yl)ethanone is Cc1occc1C(=O)CBr.
What is the InChIKey of 2-bromo-1-(2-methylfuran-3-yl)ethanone?
The InChIKey is UDMWYGQHENPQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2/c1-5-6(2-3-10-5)7(9)4-8/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-1-(2-methylfuran-3-yl)ethanone?
2-bromo-1-(2-methylfuran-3-yl)ethanone has a molecular weight of 203.03 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-methylfuran-3-yl)ethanone is sourced from PubChem (CID 75360830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).