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

C8H7F10KO3S — CID 122480837

IUPACpotassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C8H8F10O3S.K/c1-2-3-4(9,10)5(11,12)6(13,14)7(15,16)8(17,18)22(19,20)21;/h2-3H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeyDZFIVUXXLAKLAS-UHFFFAOYSA-M
MW412.29 g/mol
LogP0.47
Rot. Bonds7

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

potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate (PubChem CID 122480837) has the molecular formula C8H7F10KO3S and a molecular weight of 412.29 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate
PubChem CID122480837
Molecular FormulaC8H7F10KO3S
Molecular Weight412.29 g/mol
Exact Mass411.96
IUPAC Namepotassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C8H8F10O3S.K/c1-2-3-4(9,10)5(11,12)6(13,14)7(15,16)8(17,18)22(19,20)21;/h2-3H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeyDZFIVUXXLAKLAS-UHFFFAOYSA-M
XLogP0.47
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 50.47
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-tetrafluoropentane-1-sulfonate
CID 122481459
lithium 1,1,2,2-tetrafluoropentane-1-sulfonate
CID 122481559
potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate
CID 122481336
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate
CID 122482009
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,10-nonadecafluorodecane-1-sulfonate
CID 175160408
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane-1,8-disulfonate
CID 58716102
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
CID 58716100
dimethylazanium;1,1,2,2,3,3,4,4,5,5,10,10,10-tridecafluorodecane-1-sulfonate
CID 141491998
sodium 1,1,2,2,3,3,4,4,5,5,11,11,11-tridecafluoroundecane-1-sulfonate
CID 141492470
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorodecane-1-sulfonate
CID 122481694
1,1,2,2,3,3-hexafluoroheptane-1-sulfonate;tetraethylazanium
CID 122481488
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonate;tetrapropylazanium
CID 139829162

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate (CID 122480837) is potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate is CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate?
The InChIKey is DZFIVUXXLAKLAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F10O3S.K/c1-2-3-4(9,10)5(11,12)6(13,14)7(15,16)8(17,18)22(19,20)21;/h2-3H2,1H3,(H,19,20,21);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate?
potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate has a molecular weight of 412.29 g/mol, XLogP of 0.47, 7 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-decafluorooctane-1-sulfonate is sourced from PubChem (CID 122480837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).