1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane

C10F22O — CID 15006634

About 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane

1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane (PubChem CID 15006634) has the molecular formula C10F22O and a molecular weight of 554.06 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane.

Molecular Properties

• Compound Name: 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane
• PubChem CID: 15006634
• Molecular Formula: C10F22O
• Molecular Weight: 554.06 g/mol
• Exact Mass: 553.96
• IUPAC Name: 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane
• SMILES: FC(F)(F)OC(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C10F22O/c11-2(12,5(17,9(27,28)29)33-10(30,31)32)1(6(18,19)20,3(13,14)7(21,22)23)4(15,16)8(24,25)26
• InChIKey: LZJOIZOPUAZJNL-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.06
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane?

The IUPAC name of 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane (CID 15006634) is 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane.

What is the SMILES notation for 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane?

The canonical SMILES for 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane is FC(F)(F)OC(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane?

The InChIKey is LZJOIZOPUAZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O/c11-2(12,5(17,9(27,28)29)33-10(30,31)32)1(6(18,19)20,3(13,14)7(21,22)23)4(15,16)8(24,25)26.

What are the key properties of 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane?

1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane has a molecular weight of 554.06 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane is sourced from PubChem (CID 15006634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).