potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate

C2F5KO5S2 — CID 23676028

IUPACpotassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)S(=O)(=O)F.[K+]
InChIInChI=1S/C2HF5O5S2.K/c3-1(4,13(7,8)9)2(5,6)14(10,11)12;/h(H,10,11,12);/q;+1/p-1
InChIKeyXCPFOOLGASJVQH-UHFFFAOYSA-M
MW302.24 g/mol
LogP-2.98
Rot. Bonds3

About potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate

potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate (PubChem CID 23676028) has the molecular formula C2F5KO5S2 and a molecular weight of 302.24 g/mol. Its IUPAC name is potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate
PubChem CID23676028
Molecular FormulaC2F5KO5S2
Molecular Weight302.24 g/mol
Exact Mass301.87
IUPAC Namepotassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)S(=O)(=O)F.[K+]
InChIInChI=1S/C2HF5O5S2.K/c3-1(4,13(7,8)9)2(5,6)14(10,11)12;/h(H,10,11,12);/q;+1/p-1
InChIKeyXCPFOOLGASJVQH-UHFFFAOYSA-M
XLogP-2.98
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 5-2.98
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 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate?
The IUPAC name of potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate (CID 23676028) is potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate.
What is the SMILES notation for potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate?
The canonical SMILES for potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)S(=O)(=O)F.[K+].
What is the InChIKey of potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate?
The InChIKey is XCPFOOLGASJVQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF5O5S2.K/c3-1(4,13(7,8)9)2(5,6)14(10,11)12;/h(H,10,11,12);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate?
potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate has a molecular weight of 302.24 g/mol, XLogP of -2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonate is sourced from PubChem (CID 23676028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).