1,3-dibromo-1,3-dichloropropane

C3H4Br2Cl2 — CID 12669923

IUPAC1,3-dibromo-1,3-dichloropropane
SMILESClC(Br)CC(Cl)Br
InChIInChI=1S/C3H4Br2Cl2/c4-2(6)1-3(5)7/h2-3H,1H2
InChIKeyKWPNYDMATQDHFW-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.30
Rot. Bonds2

About 1,3-dibromo-1,3-dichloropropane

1,3-dibromo-1,3-dichloropropane (PubChem CID 12669923) has the molecular formula C3H4Br2Cl2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1,3-dibromo-1,3-dichloropropane.

Molecular Properties

Compound Name1,3-dibromo-1,3-dichloropropane
PubChem CID12669923
Molecular FormulaC3H4Br2Cl2
Molecular Weight270.78 g/mol
Exact Mass267.81
IUPAC Name1,3-dibromo-1,3-dichloropropane
SMILESClC(Br)CC(Cl)Br
InChIInChI=1S/C3H4Br2Cl2/c4-2(6)1-3(5)7/h2-3H,1H2
InChIKeyKWPNYDMATQDHFW-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-1,3-dichloropropane?
The IUPAC name of 1,3-dibromo-1,3-dichloropropane (CID 12669923) is 1,3-dibromo-1,3-dichloropropane.
What is the SMILES notation for 1,3-dibromo-1,3-dichloropropane?
The canonical SMILES for 1,3-dibromo-1,3-dichloropropane is ClC(Br)CC(Cl)Br.
What is the InChIKey of 1,3-dibromo-1,3-dichloropropane?
The InChIKey is KWPNYDMATQDHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br2Cl2/c4-2(6)1-3(5)7/h2-3H,1H2.
What are the key properties of 1,3-dibromo-1,3-dichloropropane?
1,3-dibromo-1,3-dichloropropane has a molecular weight of 270.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1,3-dichloropropane is sourced from PubChem (CID 12669923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).