potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate

C9H2F17KO3S — CID 122482009

IUPACpotassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-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)(F)C(F)(F)CF.[K+]
InChIInChI=1S/C9H3F17O3S.K/c10-1-2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)30(27,28)29;/h1H2,(H,27,28,29);/q;+1/p-1
InChIKeyQOCBQBPRUGEBPV-UHFFFAOYSA-M
MW552.24 g/mol
LogP1.54
Rot. Bonds9

About potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate

potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate (PubChem CID 122482009) has the molecular formula C9H2F17KO3S and a molecular weight of 552.24 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate
PubChem CID122482009
Molecular FormulaC9H2F17KO3S
Molecular Weight552.24 g/mol
Exact Mass551.91
IUPAC Namepotassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-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)(F)C(F)(F)CF.[K+]
InChIInChI=1S/C9H3F17O3S.K/c10-1-2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)30(27,28)29;/h1H2,(H,27,28,29);/q;+1/p-1
InChIKeyQOCBQBPRUGEBPV-UHFFFAOYSA-M
XLogP1.54
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.24
LogP ≤ 51.54
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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate with MolForge

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Related Compounds

potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
CID 122482027
1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
CID 154053922
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,10-nonadecafluorodecane-1-sulfonate
CID 175160408
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane-1,8-disulfonate
CID 58716102
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
CID 58716100
potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate
CID 122480837
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 23671708
sulfanium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 22023912
mercury(2+);bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate)
CID 22604479
cesium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 87123612
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro(113C)hexane-1-sulfonate
CID 169446237

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate (CID 122482009) is potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-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)(F)C(F)(F)CF.[K+].
What is the InChIKey of potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate?
The InChIKey is QOCBQBPRUGEBPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H3F17O3S.K/c10-1-2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)30(27,28)29;/h1H2,(H,27,28,29);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate?
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate has a molecular weight of 552.24 g/mol, XLogP of 1.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate is sourced from PubChem (CID 122482009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).