1,2-dibromopropane

C3H6Br2 — CID 6553

IUPAC1,2-dibromopropane
SMILESCC(Br)CBr
InChIInChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3
InChIKeyXFNJYAKDBJUJAJ-UHFFFAOYSA-N
MW201.89 g/mol
LogP2.16
Rot. Bonds1

About 1,2-dibromopropane

1,2-dibromopropane (PubChem CID 6553) has the molecular formula C3H6Br2 and a molecular weight of 201.89 g/mol. Its IUPAC name is 1,2-dibromopropane.

Molecular Properties

Compound Name1,2-dibromopropane
PubChem CID6553
Molecular FormulaC3H6Br2
Molecular Weight201.89 g/mol
Exact Mass199.88
IUPAC Name1,2-dibromopropane
SMILESCC(Br)CBr
InChIInChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3
InChIKeyXFNJYAKDBJUJAJ-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.89
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Bromopropane
CID 7840
2-Bromopropane
CID 6358
1,3-Dibromopropane
CID 8001
1,2,3-Tribromopropane
CID 7279
2,3-Dibromobutane
CID 21508
1,2,3-Tribromo-2-methylpropane
CID 92137
1,3-Dibromobutane
CID 7889
1,2-Dibromobutane
CID 10792
2,2-Dibromopropane
CID 11658
1,1,3-Tribromopropane
CID 134838
Butane, 2,3-dibromo-, (R*,S*)-
CID 98508
Dibromopropane
CID 152925

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromopropane?
The IUPAC name of 1,2-dibromopropane (CID 6553) is 1,2-dibromopropane.
What is the SMILES notation for 1,2-dibromopropane?
The canonical SMILES for 1,2-dibromopropane is CC(Br)CBr.
What is the InChIKey of 1,2-dibromopropane?
The InChIKey is XFNJYAKDBJUJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3.
What are the key properties of 1,2-dibromopropane?
1,2-dibromopropane has a molecular weight of 201.89 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromopropane is sourced from PubChem (CID 6553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).