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

C5H7F4KO3S — CID 134207342

IUPACpotassium 2,3,4,5-tetrafluoropentane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)C(F)C(F)CF.[K+]
InChIInChI=1S/C5H8F4O3S.K/c6-1-3(7)5(9)4(8)2-13(10,11)12;/h3-5H,1-2H2,(H,10,11,12);/q;+1/p-1
InChIKeyLHBULHZVYMVWJZ-UHFFFAOYSA-M
MW262.26 g/mol
LogP-2.48
Rot. Bonds5

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

potassium 2,3,4,5-tetrafluoropentane-1-sulfonate (PubChem CID 134207342) has the molecular formula C5H7F4KO3S and a molecular weight of 262.26 g/mol. Its IUPAC name is potassium 2,3,4,5-tetrafluoropentane-1-sulfonate.

Molecular Properties

Compound Namepotassium 2,3,4,5-tetrafluoropentane-1-sulfonate
PubChem CID134207342
Molecular FormulaC5H7F4KO3S
Molecular Weight262.26 g/mol
Exact Mass261.97
IUPAC Namepotassium 2,3,4,5-tetrafluoropentane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)C(F)C(F)CF.[K+]
InChIInChI=1S/C5H8F4O3S.K/c6-1-3(7)5(9)4(8)2-13(10,11)12;/h3-5H,1-2H2,(H,10,11,12);/q;+1/p-1
InChIKeyLHBULHZVYMVWJZ-UHFFFAOYSA-M
XLogP-2.48
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium 2,3,4,6-tetrafluorohexane-1-sulfonate
CID 134207453
potassium 2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134207060
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134206650
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonate;tetraethylazanium
CID 134207072
sodium 2,3,6-trifluorohexane-1-sulfonate
CID 134207601
2,3,4,5,6,7,8,9,12-nonafluorododecane-1-sulfonate;tetraethylazanium
CID 134206846
lithium 2,3,10-trifluorodecane-1-sulfonate
CID 134207596
lithium 2-fluoro-3-hydroxypropane-1-sulfonate
CID 172749283
potassium 2-hydroxybutane-1-sulfonate
CID 59092896
tetraethylazanium;2,3,12-trifluorododecane-1-sulfonate
CID 134207029

Frequently Asked Questions

What is the IUPAC name of potassium 2,3,4,5-tetrafluoropentane-1-sulfonate?
The IUPAC name of potassium 2,3,4,5-tetrafluoropentane-1-sulfonate (CID 134207342) is potassium 2,3,4,5-tetrafluoropentane-1-sulfonate.
What is the SMILES notation for potassium 2,3,4,5-tetrafluoropentane-1-sulfonate?
The canonical SMILES for potassium 2,3,4,5-tetrafluoropentane-1-sulfonate is O=S(=O)([O-])CC(F)C(F)C(F)CF.[K+].
What is the InChIKey of potassium 2,3,4,5-tetrafluoropentane-1-sulfonate?
The InChIKey is LHBULHZVYMVWJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8F4O3S.K/c6-1-3(7)5(9)4(8)2-13(10,11)12;/h3-5H,1-2H2,(H,10,11,12);/q;+1/p-1.
What are the key properties of potassium 2,3,4,5-tetrafluoropentane-1-sulfonate?
potassium 2,3,4,5-tetrafluoropentane-1-sulfonate has a molecular weight of 262.26 g/mol, XLogP of -2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,3,4,5-tetrafluoropentane-1-sulfonate is sourced from PubChem (CID 134207342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).