potassium 1,1,2,2,2-pentafluoroethanesulfonate

C2F5KO3S — CID 23666373

IUPACpotassium 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C2HF5O3S.K/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);/q;+1/p-1
InChIKeyPUBULWSNPHKIFY-UHFFFAOYSA-M
MW238.17 g/mol
LogP-2.31
Rot. Bonds1

About potassium 1,1,2,2,2-pentafluoroethanesulfonate

potassium 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 23666373) has the molecular formula C2F5KO3S and a molecular weight of 238.17 g/mol. Its IUPAC name is potassium 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID23666373
Molecular FormulaC2F5KO3S
Molecular Weight238.17 g/mol
Exact Mass237.91
IUPAC Namepotassium 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C2HF5O3S.K/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);/q;+1/p-1
InChIKeyPUBULWSNPHKIFY-UHFFFAOYSA-M
XLogP-2.31
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of potassium 1,1,2,2,2-pentafluoroethanesulfonate (CID 23666373) is potassium 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for potassium 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for potassium 1,1,2,2,2-pentafluoroethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is PUBULWSNPHKIFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF5O3S.K/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,2-pentafluoroethanesulfonate?
potassium 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 238.17 g/mol, XLogP of -2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 23666373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).