potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate

C9H13F6KO3S — CID 141492670

IUPACpotassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)CCCCCCC(F)(F)F.[K+]
InChIInChI=1S/C9H14F6O3S.K/c10-7(9(14,15)19(16,17)18)5-3-1-2-4-6-8(11,12)13;/h7H,1-6H2,(H,16,17,18);/q;+1/p-1
InChIKeyFOLOACRUSBUGEX-UHFFFAOYSA-M
MW354.35 g/mol
LogP0.37
Rot. Bonds8

About potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate

potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate (PubChem CID 141492670) has the molecular formula C9H13F6KO3S and a molecular weight of 354.35 g/mol. Its IUPAC name is potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
PubChem CID141492670
Molecular FormulaC9H13F6KO3S
Molecular Weight354.35 g/mol
Exact Mass354.01
IUPAC Namepotassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)CCCCCCC(F)(F)F.[K+]
InChIInChI=1S/C9H14F6O3S.K/c10-7(9(14,15)19(16,17)18)5-3-1-2-4-6-8(11,12)13;/h7H,1-6H2,(H,16,17,18);/q;+1/p-1
InChIKeyFOLOACRUSBUGEX-UHFFFAOYSA-M
XLogP0.37
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
lithium 1,1,2,2,3,9,9,9-octafluorononane-1-sulfonate
CID 141492125
potassium 1,1,2-trifluoroheptane-1-sulfonate
CID 122481633
sodium 1,1,2-trifluorododecane-1-sulfonate
CID 122480987
potassium 1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141491902
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467
lithium 1,1,2-trifluorohexane-1-sulfonate
CID 122481658
dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492118
dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
1,4-dioxane;1,1,2,7,7,7-hexafluoroheptane-1-sulfonic acid
CID 157285848
CID 88736755
CID 88736755
sulfanium 1,1,2-trifluoro-4-hydroxybutane-1-sulfonate
CID 160759853

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate?
The IUPAC name of potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate (CID 141492670) is potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)CCCCCCC(F)(F)F.[K+].
What is the InChIKey of potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate?
The InChIKey is FOLOACRUSBUGEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14F6O3S.K/c10-7(9(14,15)19(16,17)18)5-3-1-2-4-6-8(11,12)13;/h7H,1-6H2,(H,16,17,18);/q;+1/p-1.
What are the key properties of potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate?
potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate has a molecular weight of 354.35 g/mol, XLogP of 0.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate is sourced from PubChem (CID 141492670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).