potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate

C4H4F5KO3S — CID 122480963

IUPACpotassium 1,1,2,2,3-pentafluorobutane-1-sulfonate
SMILESCC(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H5F5O3S.K/c1-2(5)3(6,7)4(8,9)13(10,11)12;/h2H,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyCMWLHUCXYAVSSD-UHFFFAOYSA-M
MW266.23 g/mol
LogP-1.88
Rot. Bonds3

About potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate

potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate (PubChem CID 122480963) has the molecular formula C4H4F5KO3S and a molecular weight of 266.23 g/mol. Its IUPAC name is potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3-pentafluorobutane-1-sulfonate
PubChem CID122480963
Molecular FormulaC4H4F5KO3S
Molecular Weight266.23 g/mol
Exact Mass265.94
IUPAC Namepotassium 1,1,2,2,3-pentafluorobutane-1-sulfonate
SMILESCC(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C4H5F5O3S.K/c1-2(5)3(6,7)4(8,9)13(10,11)12;/h2H,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyCMWLHUCXYAVSSD-UHFFFAOYSA-M
XLogP-1.88
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-1.88
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

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
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
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctane-1-sulfonate
CID 122480897
potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate
CID 141492476
1-ethyl-3-methylimidazol-3-ium;1,1,2,2,3-pentafluorobutane-1-sulfonate
CID 142680828
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
1,1,2,2,3-pentafluoropentane-1-sulfonate;tetraethylazanium
CID 122481508
1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid
CID 122480790
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate (CID 122480963) is potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate is CC(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate?
The InChIKey is CMWLHUCXYAVSSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5F5O3S.K/c1-2(5)3(6,7)4(8,9)13(10,11)12;/h2H,1H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate?
potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate has a molecular weight of 266.23 g/mol, XLogP of -1.88, 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-pentafluorobutane-1-sulfonate is sourced from PubChem (CID 122480963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).