2-bromo-2-methylpropanoyl bromide;hydrobromide

C4H7Br3O — CID 87215154

IUPAC2-bromo-2-methylpropanoyl bromide;hydrobromide
SMILESBr.CC(C)(Br)C(=O)Br
InChIInChI=1S/C4H6Br2O.BrH/c1-4(2,6)3(5)7;/h1-2H3;1H
InChIKeyHKFDCAVCKRXJSE-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.66
Rot. Bonds1

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 Name2-bromo-2-methylpropanoyl bromide;hydrobromide
PubChem CID87215154
Molecular FormulaC4H7Br3O
Molecular Weight310.81 g/mol
Exact Mass307.80
IUPAC Name2-bromo-2-methylpropanoyl bromide;hydrobromide
SMILESBr.CC(C)(Br)C(=O)Br
InChIInChI=1S/C4H6Br2O.BrH/c1-4(2,6)3(5)7;/h1-2H3;1H
InChIKeyHKFDCAVCKRXJSE-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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).