potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate

C8HF16KO3S — CID 134207418

IUPACpotassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C8H2F16O3S.K/c9-1(28(25,26)27)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24;/h1H,(H,25,26,27);/q;+1/p-1
InChIKeyWJOYKGBMBCHYOW-UHFFFAOYSA-M
MW520.23 g/mol
LogP1.21
Rot. Bonds7

About potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate

potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate (PubChem CID 134207418) has the molecular formula C8HF16KO3S and a molecular weight of 520.23 g/mol. Its IUPAC name is potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate
PubChem CID134207418
Molecular FormulaC8HF16KO3S
Molecular Weight520.23 g/mol
Exact Mass519.90
IUPAC Namepotassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C8H2F16O3S.K/c9-1(28(25,26)27)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24;/h1H,(H,25,26,27);/q;+1/p-1
InChIKeyWJOYKGBMBCHYOW-UHFFFAOYSA-M
XLogP1.21
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.23
LogP ≤ 51.21
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 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate with MolForge

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Related Compounds

potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane-1-sulfonate
CID 134206654
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododecane-1-sulfonate;tetraethylazanium
CID 134206328
lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
CID 134206668
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-henicosafluorododecane-1-sulfonate
CID 134206795
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
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoroundecane-1-sulfonic acid
CID 134206322
potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
CID 134206791
lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
CID 134207102
1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate;tetraethylazanium
CID 134206597
1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecane-1-sulfonate;tetraethylazanium
CID 134207025
lithium 1,2,2,2-tetrafluoroethanesulfonate
CID 174226191

Frequently Asked Questions

What is the IUPAC name of potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate?
The IUPAC name of potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate (CID 134207418) is potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate.
What is the SMILES notation for potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate?
The canonical SMILES for potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate is O=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate?
The InChIKey is WJOYKGBMBCHYOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H2F16O3S.K/c9-1(28(25,26)27)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24;/h1H,(H,25,26,27);/q;+1/p-1.
What are the key properties of potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate?
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate has a molecular weight of 520.23 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate is sourced from PubChem (CID 134207418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).