1,2,3-tribromo-1,2-dichlorohexane

C6H9Br3Cl2 — CID 54426648

IUPAC1,2,3-tribromo-1,2-dichlorohexane
SMILESCCCC(Br)C(Cl)(Br)C(Cl)Br
InChIInChI=1S/C6H9Br3Cl2/c1-2-3-4(7)6(9,11)5(8)10/h4-5H,2-3H2,1H3
InChIKeyPANWRPBDOOQXTF-UHFFFAOYSA-N
MW391.76 g/mol
LogP4.84
Rot. Bonds4

About 1,2,3-tribromo-1,2-dichlorohexane

1,2,3-tribromo-1,2-dichlorohexane (PubChem CID 54426648) has the molecular formula C6H9Br3Cl2 and a molecular weight of 391.76 g/mol. Its IUPAC name is 1,2,3-tribromo-1,2-dichlorohexane.

Molecular Properties

Compound Name1,2,3-tribromo-1,2-dichlorohexane
PubChem CID54426648
Molecular FormulaC6H9Br3Cl2
Molecular Weight391.76 g/mol
Exact Mass387.76
IUPAC Name1,2,3-tribromo-1,2-dichlorohexane
SMILESCCCC(Br)C(Cl)(Br)C(Cl)Br
InChIInChI=1S/C6H9Br3Cl2/c1-2-3-4(7)6(9,11)5(8)10/h4-5H,2-3H2,1H3
InChIKeyPANWRPBDOOQXTF-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.76
LogP ≤ 54.84
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 1,2,3-tribromo-1,2-dichlorohexane?
The IUPAC name of 1,2,3-tribromo-1,2-dichlorohexane (CID 54426648) is 1,2,3-tribromo-1,2-dichlorohexane.
What is the SMILES notation for 1,2,3-tribromo-1,2-dichlorohexane?
The canonical SMILES for 1,2,3-tribromo-1,2-dichlorohexane is CCCC(Br)C(Cl)(Br)C(Cl)Br.
What is the InChIKey of 1,2,3-tribromo-1,2-dichlorohexane?
The InChIKey is PANWRPBDOOQXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Br3Cl2/c1-2-3-4(7)6(9,11)5(8)10/h4-5H,2-3H2,1H3.
What are the key properties of 1,2,3-tribromo-1,2-dichlorohexane?
1,2,3-tribromo-1,2-dichlorohexane has a molecular weight of 391.76 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-1,2-dichlorohexane is sourced from PubChem (CID 54426648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).