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

C4HF8KO3S — CID 141492476

IUPACpotassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)C(F)(F)F.[K+]
InChIInChI=1S/C4H2F8O3S.K/c5-1(3(8,9)10)2(6,7)4(11,12)16(13,14)15;/h1H,(H,13,14,15);/q;+1/p-1
InChIKeyWKMHPUAMEJMTIQ-UHFFFAOYSA-M
MW320.20 g/mol
LogP-1.34
Rot. Bonds3

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

potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate (PubChem CID 141492476) has the molecular formula C4HF8KO3S and a molecular weight of 320.20 g/mol. Its IUPAC name is potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate
PubChem CID141492476
Molecular FormulaC4HF8KO3S
Molecular Weight320.20 g/mol
Exact Mass319.92
IUPAC Namepotassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)C(F)(F)F.[K+]
InChIInChI=1S/C4H2F8O3S.K/c5-1(3(8,9)10)2(6,7)4(11,12)16(13,14)15;/h1H,(H,13,14,15);/q;+1/p-1
InChIKeyWKMHPUAMEJMTIQ-UHFFFAOYSA-M
XLogP-1.34
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 5-1.34
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

sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluorooctane-1-sulfonate
CID 141492086
potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate
CID 122480963
dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-docosafluoroundecane-1-sulfonate
CID 141492620
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane-1-sulfonate
CID 122481984
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
potassium 1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonate
CID 122481270
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorononane-1-sulfonate
CID 122481814
dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
CID 161156504
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
sodium 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonate
CID 122480955
lithium 1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonate
CID 122481409

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate (CID 141492476) is potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate?
The InChIKey is WKMHPUAMEJMTIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2F8O3S.K/c5-1(3(8,9)10)2(6,7)4(11,12)16(13,14)15;/h1H,(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate?
potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate has a molecular weight of 320.20 g/mol, XLogP of -1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate is sourced from PubChem (CID 141492476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).