Tribromoethanol

C₂H₃Br₃O — CID 6400

About Tribromoethanol

Tribromoethanol (PubChem CID 6400) has the molecular formula C₂H₃Br₃O and a molecular weight of 282.76 g/mol. Its IUPAC name is 2,2,2-tribromoethanol.

Molecular Properties

• Compound Name: Tribromoethanol
• PubChem CID: 6400
• Molecular Formula: C₂H₃Br₃O
• Molecular Weight: 282.76 g/mol
• Exact Mass: 279.77
• IUPAC Name: 2,2,2-tribromoethanol
• SMILES: OCC(Br)(Br)Br
• InChI: InChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2
• InChIKey: YFDSDPIBEUFTMI-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.76
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tribromoethanol?

The IUPAC name of Tribromoethanol (CID 6400) is 2,2,2-tribromoethanol.

What is the SMILES notation for Tribromoethanol?

The canonical SMILES for Tribromoethanol is OCC(Br)(Br)Br.

What is the InChIKey of Tribromoethanol?

The InChIKey is YFDSDPIBEUFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2.

What are the key properties of Tribromoethanol?

Tribromoethanol has a molecular weight of 282.76 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Tribromoethanol is sourced from PubChem (CID 6400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6400 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2731 — approved-drug record (CC BY-SA 4.0)

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