2-chloroacetyl chloride;ethane

C4H8Cl2O — CID 144520290

IUPAC2-chloroacetyl chloride;ethane
SMILESCC.O=C(Cl)CCl
InChIInChI=1S/C2H2Cl2O.C2H6/c3-1-2(4)5;1-2/h1H2;1-2H3
InChIKeyLOVDPOLOQGZTFL-UHFFFAOYSA-N
MW143.01 g/mol
LogP2.02
Rot. Bonds1

About 2-chloroacetyl chloride;ethane

2-chloroacetyl chloride;ethane (PubChem CID 144520290) has the molecular formula C4H8Cl2O and a molecular weight of 143.01 g/mol. Its IUPAC name is 2-chloroacetyl chloride;ethane.

Molecular Properties

Compound Name2-chloroacetyl chloride;ethane
PubChem CID144520290
Molecular FormulaC4H8Cl2O
Molecular Weight143.01 g/mol
Exact Mass142.00
IUPAC Name2-chloroacetyl chloride;ethane
SMILESCC.O=C(Cl)CCl
InChIInChI=1S/C2H2Cl2O.C2H6/c3-1-2(4)5;1-2/h1H2;1-2H3
InChIKeyLOVDPOLOQGZTFL-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.01
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;ethane?
The IUPAC name of 2-chloroacetyl chloride;ethane (CID 144520290) is 2-chloroacetyl chloride;ethane.
What is the SMILES notation for 2-chloroacetyl chloride;ethane?
The canonical SMILES for 2-chloroacetyl chloride;ethane is CC.O=C(Cl)CCl.
What is the InChIKey of 2-chloroacetyl chloride;ethane?
The InChIKey is LOVDPOLOQGZTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2O.C2H6/c3-1-2(4)5;1-2/h1H2;1-2H3.
What are the key properties of 2-chloroacetyl chloride;ethane?
2-chloroacetyl chloride;ethane has a molecular weight of 143.01 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;ethane is sourced from PubChem (CID 144520290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).