1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane

C8HCl6F11 — CID 154298339

IUPAC1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(Cl)Cl
InChIInChI=1S/C8HCl6F11/c9-1(10)2(15,16)3(11,17)6(20,21)4(12,18)7(22,23)5(13,19)8(14,24)25/h1H
InChIKeySSFVOLDGZHHVFV-UHFFFAOYSA-N
MW518.79 g/mol
LogP7.24
Rot. Bonds7

About 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane

1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane (PubChem CID 154298339) has the molecular formula C8HCl6F11 and a molecular weight of 518.79 g/mol. Its IUPAC name is 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane.

Molecular Properties

Compound Name1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane
PubChem CID154298339
Molecular FormulaC8HCl6F11
Molecular Weight518.79 g/mol
Exact Mass515.80
IUPAC Name1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(Cl)Cl
InChIInChI=1S/C8HCl6F11/c9-1(10)2(15,16)3(11,17)6(20,21)4(12,18)7(22,23)5(13,19)8(14,24)25/h1H
InChIKeySSFVOLDGZHHVFV-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane?
The IUPAC name of 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane (CID 154298339) is 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane.
What is the SMILES notation for 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane?
The canonical SMILES for 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane is FC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(Cl)Cl.
What is the InChIKey of 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane?
The InChIKey is SSFVOLDGZHHVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HCl6F11/c9-1(10)2(15,16)3(11,17)6(20,21)4(12,18)7(22,23)5(13,19)8(14,24)25/h1H.
What are the key properties of 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane?
1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane has a molecular weight of 518.79 g/mol, XLogP of 7.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane is sourced from PubChem (CID 154298339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).