potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite

C6F13KO3S — CID 175468274

IUPACpotassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite
SMILESO=S([O-])OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)22-23(20)21;/h(H,20,21);/q;+1/p-1
InChIKeyUWNNHUFJFLBIOI-UHFFFAOYSA-M
MW438.20 g/mol
LogP0.50
Rot. Bonds6

About potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite

potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite (PubChem CID 175468274) has the molecular formula C6F13KO3S and a molecular weight of 438.20 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite
PubChem CID175468274
Molecular FormulaC6F13KO3S
Molecular Weight438.20 g/mol
Exact Mass437.90
IUPAC Namepotassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite
SMILESO=S([O-])OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)22-23(20)21;/h(H,20,21);/q;+1/p-1
InChIKeyUWNNHUFJFLBIOI-UHFFFAOYSA-M
XLogP0.50
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite?
The IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite (CID 175468274) is potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite.
What is the SMILES notation for potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite?
The canonical SMILES for potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite is O=S([O-])OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite?
The InChIKey is UWNNHUFJFLBIOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)22-23(20)21;/h(H,20,21);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite?
potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite has a molecular weight of 438.20 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite is sourced from PubChem (CID 175468274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).