1,2,3,4,5,6-hexachlorocyclohexane;iron

C6H6Cl6Fe — CID 87747584

IUPAC1,2,3,4,5,6-hexachlorocyclohexane;iron
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.[Fe]
InChIInChI=1S/C6H6Cl6.Fe/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-6H;
InChIKeySBFFUTIMDUPFHP-UHFFFAOYSA-N
MW346.68 g/mol
LogP3.64
Rot. Bonds

About 1,2,3,4,5,6-hexachlorocyclohexane;iron

1,2,3,4,5,6-hexachlorocyclohexane;iron (PubChem CID 87747584) has the molecular formula C6H6Cl6Fe and a molecular weight of 346.68 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexachlorocyclohexane;iron.

Molecular Properties

Compound Name1,2,3,4,5,6-hexachlorocyclohexane;iron
PubChem CID87747584
Molecular FormulaC6H6Cl6Fe
Molecular Weight346.68 g/mol
Exact Mass343.80
IUPAC Name1,2,3,4,5,6-hexachlorocyclohexane;iron
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.[Fe]
InChIInChI=1S/C6H6Cl6.Fe/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-6H;
InChIKeySBFFUTIMDUPFHP-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexachlorocyclohexane;iron?
The IUPAC name of 1,2,3,4,5,6-hexachlorocyclohexane;iron (CID 87747584) is 1,2,3,4,5,6-hexachlorocyclohexane;iron.
What is the SMILES notation for 1,2,3,4,5,6-hexachlorocyclohexane;iron?
The canonical SMILES for 1,2,3,4,5,6-hexachlorocyclohexane;iron is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.[Fe].
What is the InChIKey of 1,2,3,4,5,6-hexachlorocyclohexane;iron?
The InChIKey is SBFFUTIMDUPFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.Fe/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-6H;.
What are the key properties of 1,2,3,4,5,6-hexachlorocyclohexane;iron?
1,2,3,4,5,6-hexachlorocyclohexane;iron has a molecular weight of 346.68 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexachlorocyclohexane;iron is sourced from PubChem (CID 87747584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).