2-chloro-1-(furan-2-yl)ethanone

C6H5ClO2 — CID 14909778

IUPAC2-chloro-1-(furan-2-yl)ethanone
SMILESO=C(CCl)c1ccco1
InChIInChI=1S/C6H5ClO2/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChIKeyIUFPPSVVHJDWAL-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.70
Rot. Bonds2

About 2-chloro-1-(furan-2-yl)ethanone

2-chloro-1-(furan-2-yl)ethanone (PubChem CID 14909778) has the molecular formula C6H5ClO2 and a molecular weight of 144.56 g/mol. Its IUPAC name is 2-chloro-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(furan-2-yl)ethanone
PubChem CID14909778
Molecular FormulaC6H5ClO2
Molecular Weight144.56 g/mol
Exact Mass144.00
IUPAC Name2-chloro-1-(furan-2-yl)ethanone
SMILESO=C(CCl)c1ccco1
InChIInChI=1S/C6H5ClO2/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChIKeyIUFPPSVVHJDWAL-UHFFFAOYSA-N
XLogP1.70
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.70
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-(furan-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(furan-2-yl)ethanone (CID 14909778) is 2-chloro-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(furan-2-yl)ethanone is O=C(CCl)c1ccco1.
What is the InChIKey of 2-chloro-1-(furan-2-yl)ethanone?
The InChIKey is IUFPPSVVHJDWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2.
What are the key properties of 2-chloro-1-(furan-2-yl)ethanone?
2-chloro-1-(furan-2-yl)ethanone has a molecular weight of 144.56 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(furan-2-yl)ethanone is sourced from PubChem (CID 14909778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).