potassium 2,3,4,6-tetrafluorohexane-1-sulfonate

C6H9F4KO3S — CID 134207453

IUPACpotassium 2,3,4,6-tetrafluorohexane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)C(F)C(F)CCF.[K+]
InChIInChI=1S/C6H10F4O3S.K/c7-2-1-4(8)6(10)5(9)3-14(11,12)13;/h4-6H,1-3H2,(H,11,12,13);/q;+1/p-1
InChIKeyRJUPUMIARVVKAQ-UHFFFAOYSA-M
MW276.29 g/mol
LogP-2.09
Rot. Bonds6

About potassium 2,3,4,6-tetrafluorohexane-1-sulfonate

potassium 2,3,4,6-tetrafluorohexane-1-sulfonate (PubChem CID 134207453) has the molecular formula C6H9F4KO3S and a molecular weight of 276.29 g/mol. Its IUPAC name is potassium 2,3,4,6-tetrafluorohexane-1-sulfonate.

Molecular Properties

Compound Namepotassium 2,3,4,6-tetrafluorohexane-1-sulfonate
PubChem CID134207453
Molecular FormulaC6H9F4KO3S
Molecular Weight276.29 g/mol
Exact Mass275.98
IUPAC Namepotassium 2,3,4,6-tetrafluorohexane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)C(F)C(F)CCF.[K+]
InChIInChI=1S/C6H10F4O3S.K/c7-2-1-4(8)6(10)5(9)3-14(11,12)13;/h4-6H,1-3H2,(H,11,12,13);/q;+1/p-1
InChIKeyRJUPUMIARVVKAQ-UHFFFAOYSA-M
XLogP-2.09
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium 2,3,4,6-tetrafluorohexane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134207060
potassium 2,3,4,5-tetrafluoropentane-1-sulfonate
CID 134207342
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
2,3,4,5,6,7,8,9,12-nonafluorododecane-1-sulfonate;tetraethylazanium
CID 134206846
sodium 2,3,6-trifluorohexane-1-sulfonate
CID 134207601
lithium 2,3,10-trifluorodecane-1-sulfonate
CID 134207596
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonate;tetraethylazanium
CID 134207072
1,2,3,4,5,6,8-heptafluorooctane-1-sulfonic acid
CID 87182098
tetraethylazanium;2,3,12-trifluorododecane-1-sulfonate
CID 134207029
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951

Frequently Asked Questions

What is the IUPAC name of potassium 2,3,4,6-tetrafluorohexane-1-sulfonate?
The IUPAC name of potassium 2,3,4,6-tetrafluorohexane-1-sulfonate (CID 134207453) is potassium 2,3,4,6-tetrafluorohexane-1-sulfonate.
What is the SMILES notation for potassium 2,3,4,6-tetrafluorohexane-1-sulfonate?
The canonical SMILES for potassium 2,3,4,6-tetrafluorohexane-1-sulfonate is O=S(=O)([O-])CC(F)C(F)C(F)CCF.[K+].
What is the InChIKey of potassium 2,3,4,6-tetrafluorohexane-1-sulfonate?
The InChIKey is RJUPUMIARVVKAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10F4O3S.K/c7-2-1-4(8)6(10)5(9)3-14(11,12)13;/h4-6H,1-3H2,(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium 2,3,4,6-tetrafluorohexane-1-sulfonate?
potassium 2,3,4,6-tetrafluorohexane-1-sulfonate has a molecular weight of 276.29 g/mol, XLogP of -2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,3,4,6-tetrafluorohexane-1-sulfonate is sourced from PubChem (CID 134207453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).