Chloroethane

C₂H₅Cl — CID 6337

About Chloroethane

Chloroethane (PubChem CID 6337) has the molecular formula C₂H₅Cl and a molecular weight of 64.52 g/mol. Its IUPAC name is chloroethane.

Molecular Properties

• Compound Name: Chloroethane
• PubChem CID: 6337
• Molecular Formula: C₂H₅Cl
• Molecular Weight: 64.52 g/mol
• Exact Mass: 64.01
• IUPAC Name: chloroethane
• SMILES: CCCl
• InChI: InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
• InChIKey: HRYZWHHZPQKTII-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 0.00 Ų
• Heavy Atoms: 3
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	64.52
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Chloroethane?

The IUPAC name of Chloroethane (CID 6337) is chloroethane.

What is the SMILES notation for Chloroethane?

The canonical SMILES for Chloroethane is CCCl.

What is the InChIKey of Chloroethane?

The InChIKey is HRYZWHHZPQKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3.

What are the key properties of Chloroethane?

Chloroethane has a molecular weight of 64.52 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Chloroethane is sourced from PubChem (CID 6337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6337 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3196 — approved-drug record (CC BY-SA 4.0)

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