1-(5-chlorofuran-2-yl)-4-iodobutan-1-one

C8H8ClIO2 — CID 89131529

IUPAC1-(5-chlorofuran-2-yl)-4-iodobutan-1-one
SMILESO=C(CCCI)c1ccc(Cl)o1
InChIInChI=1S/C8H8ClIO2/c9-8-4-3-7(12-8)6(11)2-1-5-10/h3-4H,1-2,5H2
InChIKeyYWUMSJMRWQGCDI-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.33
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one

1-(5-chlorofuran-2-yl)-4-iodobutan-1-one (PubChem CID 89131529) has the molecular formula C8H8ClIO2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-4-iodobutan-1-one
PubChem CID89131529
Molecular FormulaC8H8ClIO2
Molecular Weight298.51 g/mol
Exact Mass297.93
IUPAC Name1-(5-chlorofuran-2-yl)-4-iodobutan-1-one
SMILESO=C(CCCI)c1ccc(Cl)o1
InChIInChI=1S/C8H8ClIO2/c9-8-4-3-7(12-8)6(11)2-1-5-10/h3-4H,1-2,5H2
InChIKeyYWUMSJMRWQGCDI-UHFFFAOYSA-N
XLogP3.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chlorofuran-2-yl)nonan-1-one
CID 106690921
1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 106687701
1-(5-chlorofuran-2-yl)-2-(2-chlorophenyl)ethanone
CID 106687651
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 106691371
1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one
CID 54283118
disodium bis(5-chlorofuran-2-carboxylate)
CID 159781926
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106687687
1-(5-bromofuran-2-yl)tridecan-1-one
CID 12603011
1-(5-bromofuran-2-yl)heptan-1-one
CID 114752198
5-pentanoylfuran-2-carboxylic acid
CID 97034823

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one?
The IUPAC name of 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one (CID 89131529) is 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one is O=C(CCCI)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one?
The InChIKey is YWUMSJMRWQGCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIO2/c9-8-4-3-7(12-8)6(11)2-1-5-10/h3-4H,1-2,5H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one?
1-(5-chlorofuran-2-yl)-4-iodobutan-1-one has a molecular weight of 298.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-4-iodobutan-1-one is sourced from PubChem (CID 89131529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).