1,2,3,4,5,6-hexachloro-1-fluorocyclohexane

C6H5Cl6F — CID 119098816

IUPAC1,2,3,4,5,6-hexachloro-1-fluorocyclohexane
SMILESFC1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H5Cl6F/c7-1-2(8)4(10)6(12,13)5(11)3(1)9/h1-5H
InChIKeyRGCCTRMFPSOUQK-UHFFFAOYSA-N
MW308.82 g/mol
LogP3.94
Rot. Bonds

About 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane

1,2,3,4,5,6-hexachloro-1-fluorocyclohexane (PubChem CID 119098816) has the molecular formula C6H5Cl6F and a molecular weight of 308.82 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexachloro-1-fluorocyclohexane
PubChem CID119098816
Molecular FormulaC6H5Cl6F
Molecular Weight308.82 g/mol
Exact Mass305.85
IUPAC Name1,2,3,4,5,6-hexachloro-1-fluorocyclohexane
SMILESFC1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H5Cl6F/c7-1-2(8)4(10)6(12,13)5(11)3(1)9/h1-5H
InChIKeyRGCCTRMFPSOUQK-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 53.94
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 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane?
The IUPAC name of 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane (CID 119098816) is 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane.
What is the SMILES notation for 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane?
The canonical SMILES for 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane is FC1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.
What is the InChIKey of 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane?
The InChIKey is RGCCTRMFPSOUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl6F/c7-1-2(8)4(10)6(12,13)5(11)3(1)9/h1-5H.
What are the key properties of 1,2,3,4,5,6-hexachloro-1-fluorocyclohexane?
1,2,3,4,5,6-hexachloro-1-fluorocyclohexane has a molecular weight of 308.82 g/mol, XLogP of 3.94, 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-hexachloro-1-fluorocyclohexane is sourced from PubChem (CID 119098816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).