potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate

C5H2F9KO3S — CID 141492237

IUPACpotassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C5H3F9O3S.K/c6-2(7,1-18(15,16)17)3(8,9)4(10,11)5(12,13)14;/h1H2,(H,15,16,17);/q;+1/p-1
InChIKeyUHCVTTDWILFXOL-UHFFFAOYSA-M
MW352.22 g/mol
LogP-1.00
Rot. Bonds4

About potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate

potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate (PubChem CID 141492237) has the molecular formula C5H2F9KO3S and a molecular weight of 352.22 g/mol. Its IUPAC name is potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate.

Molecular Properties

Compound Namepotassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate
PubChem CID141492237
Molecular FormulaC5H2F9KO3S
Molecular Weight352.22 g/mol
Exact Mass351.92
IUPAC Namepotassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C5H3F9O3S.K/c6-2(7,1-18(15,16)17)3(8,9)4(10,11)5(12,13)14;/h1H2,(H,15,16,17);/q;+1/p-1
InChIKeyUHCVTTDWILFXOL-UHFFFAOYSA-M
XLogP-1.00
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 5-1.00
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'}

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Frequently Asked Questions

What is the IUPAC name of potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate?
The IUPAC name of potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate (CID 141492237) is potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate.
What is the SMILES notation for potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate?
The canonical SMILES for potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate is O=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate?
The InChIKey is UHCVTTDWILFXOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3F9O3S.K/c6-2(7,1-18(15,16)17)3(8,9)4(10,11)5(12,13)14;/h1H2,(H,15,16,17);/q;+1/p-1.
What are the key properties of potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate?
potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate has a molecular weight of 352.22 g/mol, XLogP of -1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate is sourced from PubChem (CID 141492237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).