1-(5-bromofuran-3-yl)-2-chloroethanone

C6H4BrClO2 — CID 130653759

IUPAC1-(5-bromofuran-3-yl)-2-chloroethanone
SMILESO=C(CCl)c1coc(Br)c1
InChIInChI=1S/C6H4BrClO2/c7-6-1-4(3-10-6)5(9)2-8/h1,3H,2H2
InChIKeyJWNQERJAWJANED-UHFFFAOYSA-N
MW223.45 g/mol
LogP2.46
Rot. Bonds2

About 1-(5-bromofuran-3-yl)-2-chloroethanone

1-(5-bromofuran-3-yl)-2-chloroethanone (PubChem CID 130653759) has the molecular formula C6H4BrClO2 and a molecular weight of 223.45 g/mol. Its IUPAC name is 1-(5-bromofuran-3-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(5-bromofuran-3-yl)-2-chloroethanone
PubChem CID130653759
Molecular FormulaC6H4BrClO2
Molecular Weight223.45 g/mol
Exact Mass221.91
IUPAC Name1-(5-bromofuran-3-yl)-2-chloroethanone
SMILESO=C(CCl)c1coc(Br)c1
InChIInChI=1S/C6H4BrClO2/c7-6-1-4(3-10-6)5(9)2-8/h1,3H,2H2
InChIKeyJWNQERJAWJANED-UHFFFAOYSA-N
XLogP2.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromofuran-3-carboxamide
CID 10821494
1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone
CID 171004358
5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 131041505
N'-acetyl-5-bromofuran-3-carbohydrazide
CID 130748449
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
CID 119627230
2-[2-[(5-bromofuran-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 115731506
3-[(5-bromofuran-3-carbonyl)amino]-2-methylpropanoic acid
CID 115731390
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 84590622
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 130770138
1-(4-benzoyl-3-bromophenyl)-2-chloroethanone
CID 174402771
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204071

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-3-yl)-2-chloroethanone?
The IUPAC name of 1-(5-bromofuran-3-yl)-2-chloroethanone (CID 130653759) is 1-(5-bromofuran-3-yl)-2-chloroethanone.
What is the SMILES notation for 1-(5-bromofuran-3-yl)-2-chloroethanone?
The canonical SMILES for 1-(5-bromofuran-3-yl)-2-chloroethanone is O=C(CCl)c1coc(Br)c1.
What is the InChIKey of 1-(5-bromofuran-3-yl)-2-chloroethanone?
The InChIKey is JWNQERJAWJANED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO2/c7-6-1-4(3-10-6)5(9)2-8/h1,3H,2H2.
What are the key properties of 1-(5-bromofuran-3-yl)-2-chloroethanone?
1-(5-bromofuran-3-yl)-2-chloroethanone has a molecular weight of 223.45 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-3-yl)-2-chloroethanone is sourced from PubChem (CID 130653759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).