Bromoform

CHBr₃ — CID 5558

About Bromoform

Bromoform (PubChem CID 5558) has the molecular formula CHBr₃ and a molecular weight of 252.73 g/mol. Its IUPAC name is bromoform.

Molecular Properties

• Compound Name: Bromoform
• PubChem CID: 5558
• Molecular Formula: CHBr₃
• Molecular Weight: 252.73 g/mol
• Exact Mass: 249.76
• IUPAC Name: bromoform
• SMILES: BrC(Br)Br
• InChI: InChI=1S/CHBr3/c2-1(3)4/h1H
• InChIKey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 0.00 Ų
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.73
LogP ≤ 5	2.45
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 Bromoform?

The IUPAC name of Bromoform (CID 5558) is bromoform.

What is the SMILES notation for Bromoform?

The canonical SMILES for Bromoform is BrC(Br)Br.

What is the InChIKey of Bromoform?

The InChIKey is DIKBFYAXUHHXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/CHBr3/c2-1(3)4/h1H.

What are the key properties of Bromoform?

Bromoform has a molecular weight of 252.73 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Bromoform is sourced from PubChem (CID 5558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5558 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 405 — approved-drug record (CC BY-SA 4.0)

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