potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate

C4F9KO3S — CID 23662569

IUPACpotassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C4HF9O3S.K/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1
InChIKeyKIAYLFPLRHWXFS-UHFFFAOYSA-M
MW338.19 g/mol
LogP-1.04
Rot. Bonds2

About potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate

potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 23662569) has the molecular formula C4F9KO3S and a molecular weight of 338.19 g/mol. Its IUPAC name is potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate
PubChem CID23662569
Molecular FormulaC4F9KO3S
Molecular Weight338.19 g/mol
Exact Mass337.91
IUPAC Namepotassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C4HF9O3S.K/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1
InChIKeyKIAYLFPLRHWXFS-UHFFFAOYSA-M
XLogP-1.04
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Potassium perfluorobutanesulfonate
CID 23675274
Potassium perfluorohexanesulfonate
CID 23678874
Perfluoro-1-butanesulfonyl fluoride
CID 67814
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride
CID 324955
Perfluorobutanesulfonate
CID 3741048
1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-, potassium salt (1:1)
CID 23678875
Lithium perfluorobutanesulfonate
CID 23681910
Potassium 1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonate
CID 23692701
Potasium Nonafluorobutylsulfonate
CID 139197432
1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propanesulphonic acid
CID 3022201
Sodium perfluorobutanesulfonate
CID 23678450
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfinate
CID 3753314

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate (CID 23662569) is potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[K+].
What is the InChIKey of potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is KIAYLFPLRHWXFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4HF9O3S.K/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1.
What are the key properties of potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate?
potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 338.19 g/mol, XLogP of -1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 23662569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).