potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate

C10H3F10KO4S2 — CID 155636306

IUPACpotassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Sc1cc(F)cc(F)c1.[K+]
InChIInChI=1S/C10H4F10O4S2.K/c11-4-1-5(12)3-6(2-4)25-9(17,18)7(13,14)24-8(15,16)10(19,20)26(21,22)23;/h1-3H,(H,21,22,23);/q;+1/p-1
InChIKeyZWGCFWAJJUAOEF-UHFFFAOYSA-M
MW480.34 g/mol
LogP0.99
Rot. Bonds7

About potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate

potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 155636306) has the molecular formula C10H3F10KO4S2 and a molecular weight of 480.34 g/mol. Its IUPAC name is potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Namepotassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate
PubChem CID155636306
Molecular FormulaC10H3F10KO4S2
Molecular Weight480.34 g/mol
Exact Mass479.90
IUPAC Namepotassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Sc1cc(F)cc(F)c1.[K+]
InChIInChI=1S/C10H4F10O4S2.K/c11-4-1-5(12)3-6(2-4)25-9(17,18)7(13,14)24-8(15,16)10(19,20)26(21,22)23;/h1-3H,(H,21,22,23);/q;+1/p-1
InChIKeyZWGCFWAJJUAOEF-UHFFFAOYSA-M
XLogP0.99
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate (CID 155636306) is potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for potassium 2-[2-(3,5-difluorophenyl)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(F)cc(F)c1.[K+].
What is the InChIKey of potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is ZWGCFWAJJUAOEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H4F10O4S2.K/c11-4-1-5(12)3-6(2-4)25-9(17,18)7(13,14)24-8(15,16)10(19,20)26(21,22)23;/h1-3H,(H,21,22,23);/q;+1/p-1.
What are the key properties of potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?
potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 480.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-(3,5-difluorophenyl)sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 155636306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).