2,2-dibromopropane

C3H6Br2 — CID 11658

IUPAC2,2-dibromopropane
SMILESCC(C)(Br)Br
InChIInChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3
InChIKeyARITXYXYCOZKMU-UHFFFAOYSA-N
MW201.89 g/mol
LogP2.51
Rot. Bonds

About 2,2-dibromopropane

2,2-dibromopropane (PubChem CID 11658) has the molecular formula C3H6Br2 and a molecular weight of 201.89 g/mol. Its IUPAC name is 2,2-dibromopropane.

Molecular Properties

Compound Name2,2-dibromopropane
PubChem CID11658
Molecular FormulaC3H6Br2
Molecular Weight201.89 g/mol
Exact Mass199.88
IUPAC Name2,2-dibromopropane
SMILESCC(C)(Br)Br
InChIInChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3
InChIKeyARITXYXYCOZKMU-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.89
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2-dibromopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromopropane?
The IUPAC name of 2,2-dibromopropane (CID 11658) is 2,2-dibromopropane.
What is the SMILES notation for 2,2-dibromopropane?
The canonical SMILES for 2,2-dibromopropane is CC(C)(Br)Br.
What is the InChIKey of 2,2-dibromopropane?
The InChIKey is ARITXYXYCOZKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3.
What are the key properties of 2,2-dibromopropane?
2,2-dibromopropane has a molecular weight of 201.89 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromopropane is sourced from PubChem (CID 11658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).