potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate

C40H21F20KO8S2 — CID 155636325

About potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate

potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 155636325) has the molecular formula C40H21F20KO8S2 and a molecular weight of 1112.79 g/mol. Its IUPAC name is potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

• Compound Name: potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate
• PubChem CID: 155636325
• Molecular Formula: C40H21F20KO8S2
• Molecular Weight: 1112.79 g/mol
• Exact Mass: 1112.00
• IUPAC Name: potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate
• SMILES: O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Sc1cc(Oc2ccc(C(c3ccc(O)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc(Oc2ccc(C(c3ccc(O)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1.[K+]
• InChI: InChI=1S/C40H22F20O8S2.K/c41-33(42,43)31(34(44,45)46,20-1-9-24(61)10-2-20)22-5-13-26(14-6-22)66-28-17-29(19-30(18-28)69-39(57,58)37(53,54)68-38(55,56)40(59,60)70(63,64)65)67-27-15-7-23(8-16-27)32(35(47,48)49,36(50,51)52)21-3-11-25(62)12-4-21;/h1-19,61-62H,(H,63,64,65);/q;+1/p-1
• InChIKey: UTWHYWZHXRBPTO-UHFFFAOYSA-M
• XLogP: 10.53
• TPSA: 125.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.79
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The IUPAC name of potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate (CID 155636325) is potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate.

What is the SMILES notation for potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The canonical SMILES for potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Sc1cc(Oc2ccc(C(c3ccc(O)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc(Oc2ccc(C(c3ccc(O)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1.[K+].

What is the InChIKey of potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The InChIKey is UTWHYWZHXRBPTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H22F20O8S2.K/c41-33(42,43)31(34(44,45)46,20-1-9-24(61)10-2-20)22-5-13-26(14-6-22)66-28-17-29(19-30(18-28)69-39(57,58)37(53,54)68-38(55,56)40(59,60)70(63,64)65)67-27-15-7-23(8-16-27)32(35(47,48)49,36(50,51)52)21-3-11-25(62)12-4-21;/h1-19,61-62H,(H,63,64,65);/q;+1/p-1.

What are the key properties of potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?

potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 1112.79 g/mol, XLogP of 10.53, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 155636325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).