lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate

C30H18F11LiO8S2 — CID 59724397

About lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate

lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate (PubChem CID 59724397) has the molecular formula C30H18F11LiO8S2 and a molecular weight of 786.52 g/mol. Its IUPAC name is lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate.

Molecular Properties

• Compound Name: lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate
• PubChem CID: 59724397
• Molecular Formula: C30H18F11LiO8S2
• Molecular Weight: 786.52 g/mol
• Exact Mass: 786.04
• IUPAC Name: lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate
• SMILES: O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)c1ccc(-c2ccc(C(c3ccc(O)cc3)(c3ccc(O)cc3)C(F)(F)F)cc2)cc1.[Li+]
• InChI: InChI=1S/C30H19F11O8S2.Li/c31-26(32,33)25(20-7-11-22(42)12-8-20,21-9-13-23(43)14-10-21)19-5-1-17(2-6-19)18-3-15-24(16-4-18)50(44,45)29(38,39)27(34,35)49-28(36,37)30(40,41)51(46,47)48;/h1-16,42-43H,(H,46,47,48);/q;+1/p-1
• InChIKey: WOPUAUKDXSXBDI-UHFFFAOYSA-M
• XLogP: 4.37
• TPSA: 141.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	786.52
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate?

The IUPAC name of lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate (CID 59724397) is lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate.

What is the SMILES notation for lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate?

The canonical SMILES for lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)c1ccc(-c2ccc(C(c3ccc(O)cc3)(c3ccc(O)cc3)C(F)(F)F)cc2)cc1.[Li+].

What is the InChIKey of lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate?

The InChIKey is WOPUAUKDXSXBDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H19F11O8S2.Li/c31-26(32,33)25(20-7-11-22(42)12-8-20,21-9-13-23(43)14-10-21)19-5-1-17(2-6-19)18-3-15-24(16-4-18)50(44,45)29(38,39)27(34,35)49-28(36,37)30(40,41)51(46,47)48;/h1-16,42-43H,(H,46,47,48);/q;+1/p-1.

What are the key properties of lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate?

lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate has a molecular weight of 786.52 g/mol, XLogP of 4.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for lithium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenyl]phenyl]sulfonylethoxy]ethanesulfonate is sourced from PubChem (CID 59724397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).