3,4,6-tribromo-5-chlorocyclohexene

C6H6Br3Cl — CID 139594441

IUPAC3,4,6-tribromo-5-chlorocyclohexene
SMILESClC1C(Br)C=CC(Br)C1Br
InChIInChI=1S/C6H6Br3Cl/c7-3-1-2-4(8)6(10)5(3)9/h1-6H
InChIKeyBWIRJKNVDUGYHQ-UHFFFAOYSA-N
MW353.28 g/mol
LogP3.45
Rot. Bonds

About 3,4,6-tribromo-5-chlorocyclohexene

3,4,6-tribromo-5-chlorocyclohexene (PubChem CID 139594441) has the molecular formula C6H6Br3Cl and a molecular weight of 353.28 g/mol. Its IUPAC name is 3,4,6-tribromo-5-chlorocyclohexene.

Molecular Properties

Compound Name3,4,6-tribromo-5-chlorocyclohexene
PubChem CID139594441
Molecular FormulaC6H6Br3Cl
Molecular Weight353.28 g/mol
Exact Mass349.77
IUPAC Name3,4,6-tribromo-5-chlorocyclohexene
SMILESClC1C(Br)C=CC(Br)C1Br
InChIInChI=1S/C6H6Br3Cl/c7-3-1-2-4(8)6(10)5(3)9/h1-6H
InChIKeyBWIRJKNVDUGYHQ-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-tribromo-5-chlorocyclohexene?
The IUPAC name of 3,4,6-tribromo-5-chlorocyclohexene (CID 139594441) is 3,4,6-tribromo-5-chlorocyclohexene.
What is the SMILES notation for 3,4,6-tribromo-5-chlorocyclohexene?
The canonical SMILES for 3,4,6-tribromo-5-chlorocyclohexene is ClC1C(Br)C=CC(Br)C1Br.
What is the InChIKey of 3,4,6-tribromo-5-chlorocyclohexene?
The InChIKey is BWIRJKNVDUGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br3Cl/c7-3-1-2-4(8)6(10)5(3)9/h1-6H.
What are the key properties of 3,4,6-tribromo-5-chlorocyclohexene?
3,4,6-tribromo-5-chlorocyclohexene has a molecular weight of 353.28 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-tribromo-5-chlorocyclohexene is sourced from PubChem (CID 139594441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).