1,3-dibromo-4,6-dichlorohexane

C6H10Br2Cl2 — CID 57439885

IUPAC1,3-dibromo-4,6-dichlorohexane
SMILESClCCC(Cl)C(Br)CCBr
InChIInChI=1S/C6H10Br2Cl2/c7-3-1-5(8)6(10)2-4-9/h5-6H,1-4H2
InChIKeyXLLFKZWKZDNIAJ-UHFFFAOYSA-N
MW312.86 g/mol
LogP3.77
Rot. Bonds5

About 1,3-dibromo-4,6-dichlorohexane

1,3-dibromo-4,6-dichlorohexane (PubChem CID 57439885) has the molecular formula C6H10Br2Cl2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 1,3-dibromo-4,6-dichlorohexane.

Molecular Properties

Compound Name1,3-dibromo-4,6-dichlorohexane
PubChem CID57439885
Molecular FormulaC6H10Br2Cl2
Molecular Weight312.86 g/mol
Exact Mass309.85
IUPAC Name1,3-dibromo-4,6-dichlorohexane
SMILESClCCC(Cl)C(Br)CCBr
InChIInChI=1S/C6H10Br2Cl2/c7-3-1-5(8)6(10)2-4-9/h5-6H,1-4H2
InChIKeyXLLFKZWKZDNIAJ-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dibromo-4,6-dichlorohexane 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 1,3-dibromo-4,6-dichlorohexane?
The IUPAC name of 1,3-dibromo-4,6-dichlorohexane (CID 57439885) is 1,3-dibromo-4,6-dichlorohexane.
What is the SMILES notation for 1,3-dibromo-4,6-dichlorohexane?
The canonical SMILES for 1,3-dibromo-4,6-dichlorohexane is ClCCC(Cl)C(Br)CCBr.
What is the InChIKey of 1,3-dibromo-4,6-dichlorohexane?
The InChIKey is XLLFKZWKZDNIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2Cl2/c7-3-1-5(8)6(10)2-4-9/h5-6H,1-4H2.
What are the key properties of 1,3-dibromo-4,6-dichlorohexane?
1,3-dibromo-4,6-dichlorohexane has a molecular weight of 312.86 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-4,6-dichlorohexane is sourced from PubChem (CID 57439885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).