2-chloro-1-(5-chlorofuran-2-yl)ethanone

C6H4Cl2O2 — CID 14909780

IUPAC2-chloro-1-(5-chlorofuran-2-yl)ethanone
SMILESO=C(CCl)c1ccc(Cl)o1
InChIInChI=1S/C6H4Cl2O2/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
InChIKeyLYOMNBLEGDSONB-UHFFFAOYSA-N
MW179.00 g/mol
LogP2.35
Rot. Bonds2

About 2-chloro-1-(5-chlorofuran-2-yl)ethanone

2-chloro-1-(5-chlorofuran-2-yl)ethanone (PubChem CID 14909780) has the molecular formula C6H4Cl2O2 and a molecular weight of 179.00 g/mol. Its IUPAC name is 2-chloro-1-(5-chlorofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-chlorofuran-2-yl)ethanone
PubChem CID14909780
Molecular FormulaC6H4Cl2O2
Molecular Weight179.00 g/mol
Exact Mass177.96
IUPAC Name2-chloro-1-(5-chlorofuran-2-yl)ethanone
SMILESO=C(CCl)c1ccc(Cl)o1
InChIInChI=1S/C6H4Cl2O2/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
InChIKeyLYOMNBLEGDSONB-UHFFFAOYSA-N
XLogP2.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.00
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-chlorofuran-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-chlorofuran-2-yl)ethanone (CID 14909780) is 2-chloro-1-(5-chlorofuran-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-chlorofuran-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-chlorofuran-2-yl)ethanone is O=C(CCl)c1ccc(Cl)o1.
What is the InChIKey of 2-chloro-1-(5-chlorofuran-2-yl)ethanone?
The InChIKey is LYOMNBLEGDSONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2.
What are the key properties of 2-chloro-1-(5-chlorofuran-2-yl)ethanone?
2-chloro-1-(5-chlorofuran-2-yl)ethanone has a molecular weight of 179.00 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-chlorofuran-2-yl)ethanone is sourced from PubChem (CID 14909780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).