potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate

C4H2F7KO3S — CID 122482027

IUPACpotassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CF.[K+]
InChIInChI=1S/C4H3F7O3S.K/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14;/h1H2,(H,12,13,14);/q;+1/p-1
InChIKeyFZNKYAIZNAYAGV-UHFFFAOYSA-M
MW302.21 g/mol
LogP-1.63
Rot. Bonds4

About potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate

potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate (PubChem CID 122482027) has the molecular formula C4H2F7KO3S and a molecular weight of 302.21 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
PubChem CID122482027
Molecular FormulaC4H2F7KO3S
Molecular Weight302.21 g/mol
Exact Mass301.92
IUPAC Namepotassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CF.[K+]
InChIInChI=1S/C4H3F7O3S.K/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14;/h1H2,(H,12,13,14);/q;+1/p-1
InChIKeyFZNKYAIZNAYAGV-UHFFFAOYSA-M
XLogP-1.63
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 5-1.63
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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Related Compounds

1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
CID 154053922
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate
CID 122482009
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-hexafluoroheptane-1-sulfonate
CID 122481336
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
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
potassium 1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
CID 23676030
azanium 1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonate
CID 141492323
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate
CID 122480837

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate (CID 122482027) is potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CF.[K+].
What is the InChIKey of potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate?
The InChIKey is FZNKYAIZNAYAGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3F7O3S.K/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14;/h1H2,(H,12,13,14);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate?
potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate has a molecular weight of 302.21 g/mol, XLogP of -1.63, 4 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-heptafluorobutane-1-sulfonate is sourced from PubChem (CID 122482027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).