2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate

C18H20F16O8S2-2 — CID 58616474

About 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate

2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 58616474) has the molecular formula C18H20F16O8S2-2 and a molecular weight of 732.45 g/mol. Its IUPAC name is 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

• Compound Name: 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate
• PubChem CID: 58616474
• Molecular Formula: C18H20F16O8S2-2
• Molecular Weight: 732.45 g/mol
• Exact Mass: 732.04
• IUPAC Name: 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate
• SMILES: CCC(CCC(CC)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)[O-])CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-]
• InChI: InChI=1S/C18H22F16O8S2/c1-3-9(7-11(19,20)13(23,24)39-15(27,28)17(31,32)43-42-41-35)5-6-10(4-2)8-12(21,22)14(25,26)40-16(29,30)18(33,34)44(36,37)38/h9-10,35H,3-8H2,1-2H3,(H,36,37,38)/p-2
• InChIKey: LBZQROSCBPLIPJ-UHFFFAOYSA-L
• XLogP: 6.88
• TPSA: 117.18 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.45
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The IUPAC name of 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate (CID 58616474) is 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate.

What is the SMILES notation for 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The canonical SMILES for 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate is CCC(CCC(CC)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)[O-])CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].

What is the InChIKey of 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The InChIKey is LBZQROSCBPLIPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H22F16O8S2/c1-3-9(7-11(19,20)13(23,24)39-15(27,28)17(31,32)43-42-41-35)5-6-10(4-2)8-12(21,22)14(25,26)40-16(29,30)18(33,34)44(36,37)38/h9-10,35H,3-8H2,1-2H3,(H,36,37,38)/p-2.

What are the key properties of 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate?

2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 732.45 g/mol, XLogP of 6.88, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)decoxy]-1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 58616474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).