potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate

C11H8F15KO3S — CID 134206791

IUPACpotassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F.[K+]
InChIInChI=1S/C11H9F15O3S.K/c12-1(3(14)5(16)7(18)19)2(13)4(15)6(17)9(21,22)11(25,26)10(23,24)8(20)30(27,28)29;/h1-8H,(H,27,28,29);/q;+1/p-1
InChIKeyQICKSEWSVWNPLY-UHFFFAOYSA-M
MW544.32 g/mol
LogP1.03
Rot. Bonds11

About potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate

potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate (PubChem CID 134206791) has the molecular formula C11H8F15KO3S and a molecular weight of 544.32 g/mol. Its IUPAC name is potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
PubChem CID134206791
Molecular FormulaC11H8F15KO3S
Molecular Weight544.32 g/mol
Exact Mass543.96
IUPAC Namepotassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F.[K+]
InChIInChI=1S/C11H9F15O3S.K/c12-1(3(14)5(16)7(18)19)2(13)4(15)6(17)9(21,22)11(25,26)10(23,24)8(20)30(27,28)29;/h1-8H,(H,27,28,29);/q;+1/p-1
InChIKeyQICKSEWSVWNPLY-UHFFFAOYSA-M
XLogP1.03
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.32
LogP ≤ 51.03
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'}

Analyze potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate with MolForge

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Related Compounds

potassium 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-hexadecafluorodecane-1-sulfonate
CID 134206568
lithium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-icosafluorododecane-1-sulfonate
CID 134207622
lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
CID 134207102
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-henicosafluorododecane-1-sulfonate
CID 134206795
1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 134207049
lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
CID 134207484
potassium 1,2,2,3,4,5,6,7,8,8-decafluorooctane-1-sulfonate
CID 134207096
lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
CID 134206668
potassium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134206944
lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134207024
1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecane-1-sulfonate;tetraethylazanium
CID 134207025
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate
CID 134207418

Frequently Asked Questions

What is the IUPAC name of potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate?
The IUPAC name of potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate (CID 134206791) is potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate.
What is the SMILES notation for potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate?
The canonical SMILES for potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate is O=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F.[K+].
What is the InChIKey of potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate?
The InChIKey is QICKSEWSVWNPLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9F15O3S.K/c12-1(3(14)5(16)7(18)19)2(13)4(15)6(17)9(21,22)11(25,26)10(23,24)8(20)30(27,28)29;/h1-8H,(H,27,28,29);/q;+1/p-1.
What are the key properties of potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate?
potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate has a molecular weight of 544.32 g/mol, XLogP of 1.03, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate is sourced from PubChem (CID 134206791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).