Chloroform

CHCl₃ — CID 6212

About Chloroform

Chloroform (PubChem CID 6212) has the molecular formula CHCl₃ and a molecular weight of 119.38 g/mol. Its IUPAC name is chloroform.

Molecular Properties

• Compound Name: Chloroform
• PubChem CID: 6212
• Molecular Formula: CHCl₃
• Molecular Weight: 119.38 g/mol
• Exact Mass: 117.91
• IUPAC Name: chloroform
• SMILES: ClC(Cl)Cl
• InChI: InChI=1S/CHCl3/c2-1(3)4/h1H
• InChIKey: HEDRZPFGACZZDS-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 0.00 Ų
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	119.38
LogP ≤ 5	1.99
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 Chloroform?

The IUPAC name of Chloroform (CID 6212) is chloroform.

What is the SMILES notation for Chloroform?

The canonical SMILES for Chloroform is ClC(Cl)Cl.

What is the InChIKey of Chloroform?

The InChIKey is HEDRZPFGACZZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/CHCl3/c2-1(3)4/h1H.

What are the key properties of Chloroform?

Chloroform has a molecular weight of 119.38 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Chloroform is sourced from PubChem (CID 6212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6212 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4363 — approved-drug record (CC BY-SA 4.0)

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