potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate

C10H5F16KO3S — CID 141492503

IUPACpotassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCC(F)(F)F.[K+]
InChIInChI=1S/C10H6F16O3S.K/c11-3(1-2-4(12,13)14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)30(27,28)29;/h3H,1-2H2,(H,27,28,29);/q;+1/p-1
InChIKeyWJTWHUYMJZHBQJ-UHFFFAOYSA-M
MW548.28 g/mol
LogP1.99
Rot. Bonds9

About potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate

potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate (PubChem CID 141492503) has the molecular formula C10H5F16KO3S and a molecular weight of 548.28 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate
PubChem CID141492503
Molecular FormulaC10H5F16KO3S
Molecular Weight548.28 g/mol
Exact Mass547.93
IUPAC Namepotassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCC(F)(F)F.[K+]
InChIInChI=1S/C10H6F16O3S.K/c11-3(1-2-4(12,13)14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)30(27,28)29;/h3H,1-2H2,(H,27,28,29);/q;+1/p-1
InChIKeyWJTWHUYMJZHBQJ-UHFFFAOYSA-M
XLogP1.99
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.28
LogP ≤ 51.99
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 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate with MolForge

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Launch Full Analysis

Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,11,11,11-octadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 141492292
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorodecane-1-sulfonate
CID 122481694
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecane-1-sulfonate
CID 141492156
1,1,2,2,3,3,4,4,5,5,6,10,10,10-tetradecafluorodecane-1-sulfonate;tetraethylazanium
CID 141492276
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,12,12,12-octadecafluorododecane-1-sulfonate;tetraethylazanium
CID 141492366
1,1,2,2,3,3,4,4,5,5,6,11,11,11-tetradecafluoroundecane-1-sulfonate;tetraethylazanium
CID 141492397
azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,11,11,11-octadecafluoroundecane-1-sulfonic acid
CID 175157637
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane-1-sulfonate
CID 122481984
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481866
tetraethylazanium;1,1,2,2,3,3,4,4,5,5,6-undecafluorodecane-1-sulfonate
CID 122481847

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate (CID 141492503) is potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCC(F)(F)F.[K+].
What is the InChIKey of potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate?
The InChIKey is WJTWHUYMJZHBQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H6F16O3S.K/c11-3(1-2-4(12,13)14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)30(27,28)29;/h3H,1-2H2,(H,27,28,29);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate?
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate has a molecular weight of 548.28 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate is sourced from PubChem (CID 141492503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).