1-(5-bromo-2-chlorofuran-3-yl)ethanone

C6H4BrClO2 — CID 83823109

IUPAC1-(5-bromo-2-chlorofuran-3-yl)ethanone
SMILESCC(=O)c1cc(Br)oc1Cl
InChIInChI=1S/C6H4BrClO2/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
InChIKeyUKOAHNXIACFTBW-UHFFFAOYSA-N
MW223.45 g/mol
LogP2.90
Rot. Bonds1

About 1-(5-bromo-2-chlorofuran-3-yl)ethanone

1-(5-bromo-2-chlorofuran-3-yl)ethanone (PubChem CID 83823109) has the molecular formula C6H4BrClO2 and a molecular weight of 223.45 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-chlorofuran-3-yl)ethanone
PubChem CID83823109
Molecular FormulaC6H4BrClO2
Molecular Weight223.45 g/mol
Exact Mass221.91
IUPAC Name1-(5-bromo-2-chlorofuran-3-yl)ethanone
SMILESCC(=O)c1cc(Br)oc1Cl
InChIInChI=1S/C6H4BrClO2/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
InChIKeyUKOAHNXIACFTBW-UHFFFAOYSA-N
XLogP2.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
CID 131292987
1-(2-bromo-5-chloro-3-hydroxyphenyl)ethanone
CID 131292980
5-bromo-2-diaminophosphorylfuran-3-carboxamide
CID 67648191
methyl 4-acetyl-5-bromofuran-2-carboxylate
CID 84737463
1-(2-bromo-1-benzofuran-6-yl)ethanone
CID 83898344
2-acetyl-4-bromo-5-chlorobenzaldehyde
CID 171000585
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611
1-[5-bromo-2-chloro-3-(trifluoromethyl)phenyl]ethanone
CID 121227620
4-acetyl-5-bromo-2-chlorobenzonitrile
CID 171001485
1-[2-[tert-butyl(dimethyl)silyl]oxy-4-chlorophenyl]ethanone
CID 167735081
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
1-(2-bromo-5-fluoro-4-pyridinyl)ethanone
CID 25222946

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorofuran-3-yl)ethanone?
The IUPAC name of 1-(5-bromo-2-chlorofuran-3-yl)ethanone (CID 83823109) is 1-(5-bromo-2-chlorofuran-3-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-chlorofuran-3-yl)ethanone?
The canonical SMILES for 1-(5-bromo-2-chlorofuran-3-yl)ethanone is CC(=O)c1cc(Br)oc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorofuran-3-yl)ethanone?
The InChIKey is UKOAHNXIACFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO2/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3.
What are the key properties of 1-(5-bromo-2-chlorofuran-3-yl)ethanone?
1-(5-bromo-2-chlorofuran-3-yl)ethanone has a molecular weight of 223.45 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorofuran-3-yl)ethanone is sourced from PubChem (CID 83823109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).