2-bromo-2-methylpropanoyl bromide;hydrobromide

C₄H₇Br₃O — CID 87215154

About 2-bromo-2-methylpropanoyl bromide;hydrobromide

2-bromo-2-methylpropanoyl bromide;hydrobromide (PubChem CID 87215154) has the molecular formula C₄H₇Br₃O and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-bromo-2-methylpropanoyl bromide;hydrobromide.

Molecular Properties

• Compound Name: 2-bromo-2-methylpropanoyl bromide;hydrobromide
• PubChem CID: 87215154
• Molecular Formula: C₄H₇Br₃O
• Molecular Weight: 310.81 g/mol
• Exact Mass: 307.80
• IUPAC Name: 2-bromo-2-methylpropanoyl bromide;hydrobromide
• SMILES: Br.CC(C)(Br)C(=O)Br
• InChI: InChI=1S/C4H6Br2O.BrH/c1-4(2,6)3(5)7;/h1-2H3;1H
• InChIKey: HKFDCAVCKRXJSE-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.81
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methylpropanoyl bromide;hydrobromide?

The IUPAC name of 2-bromo-2-methylpropanoyl bromide;hydrobromide (CID 87215154) is 2-bromo-2-methylpropanoyl bromide;hydrobromide.

What is the SMILES notation for 2-bromo-2-methylpropanoyl bromide;hydrobromide?

The canonical SMILES for 2-bromo-2-methylpropanoyl bromide;hydrobromide is Br.CC(C)(Br)C(=O)Br.

What is the InChIKey of 2-bromo-2-methylpropanoyl bromide;hydrobromide?

The InChIKey is HKFDCAVCKRXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2O.BrH/c1-4(2,6)3(5)7;/h1-2H3;1H.

What are the key properties of 2-bromo-2-methylpropanoyl bromide;hydrobromide?

2-bromo-2-methylpropanoyl bromide;hydrobromide has a molecular weight of 310.81 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-2-methylpropanoyl bromide;hydrobromide is sourced from PubChem (CID 87215154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87215154 — identifiers, structure, computed properties (public domain)

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