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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Related Compounds

1,1,1,3-tetrabromo-4-chloro-4-methylhexane
CID 71384171
(4R)-3-bromo-4-chloroheptane
CID 138653502
1,1,1,2,2,3-hexachlorohexane
CID 22151176
1,3-dibromo-1,3-dichlorohexane-2,4-diol
CID 57108835
N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine
CID 89245966
1,1,2,2-tetrachlorohexan-3-ol
CID 71360035
2,3-dichloro-1,1,1,2-tetrafluorohexane
CID 141228744
1,1,1,2,2,3-hexabromo-3,4-dichlorododecane
CID 88623568
1-bromobutylsilane
CID 174507428
3-bromohexane
CID 18806
1-bromo-1-iodobutane
CID 22138270
1-(1,1,2,2-tetrabromoethoxy)butane
CID 134894303

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).