potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate

C11H16ClF6KO3S — CID 23676035

IUPACpotassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate
SMILESCCCCCCC(Cl)CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C11H17ClF6O3S.K/c1-2-3-4-5-6-8(12)7-9(13,14)10(15,16)11(17,18)22(19,20)21;/h8H,2-7H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeyYCCWQKLBAQUYLN-UHFFFAOYSA-M
MW416.85 g/mol
LogP1.37
Rot. Bonds10

About potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate

potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate (PubChem CID 23676035) has the molecular formula C11H16ClF6KO3S and a molecular weight of 416.85 g/mol. Its IUPAC name is potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate.

Molecular Properties

Compound Namepotassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate
PubChem CID23676035
Molecular FormulaC11H16ClF6KO3S
Molecular Weight416.85 g/mol
Exact Mass416.00
IUPAC Namepotassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate
SMILESCCCCCCC(Cl)CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C11H17ClF6O3S.K/c1-2-3-4-5-6-8(12)7-9(13,14)10(15,16)11(17,18)22(19,20)21;/h8H,2-7H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeyYCCWQKLBAQUYLN-UHFFFAOYSA-M
XLogP1.37
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.85
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azanium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate
CID 88526847
potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate
CID 122481336
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588
1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481434
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonate;tetraethylazanium
CID 122482084
sodium 1,1,2,2-tetrafluorohexane-1-sulfonate
CID 122481287
potassium 1,1,2-trifluoroheptane-1-sulfonate
CID 122481633
potassium 1,1,2,2-tetrafluoropentane-1-sulfonate
CID 122481459
1,1,2,2,3,3-hexafluoroheptane-1-sulfonate;tetraethylazanium
CID 122481488
tetrabutylphosphanium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
CID 162396600
sodium 1,1,2-trifluorododecane-1-sulfonate
CID 122480987
3-chlorohenicosane
CID 87067964

Frequently Asked Questions

What is the IUPAC name of potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate?
The IUPAC name of potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate (CID 23676035) is potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate.
What is the SMILES notation for potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate?
The canonical SMILES for potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate is CCCCCCC(Cl)CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate?
The InChIKey is YCCWQKLBAQUYLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17ClF6O3S.K/c1-2-3-4-5-6-8(12)7-9(13,14)10(15,16)11(17,18)22(19,20)21;/h8H,2-7H2,1H3,(H,19,20,21);/q;+1/p-1.
What are the key properties of potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate?
potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate has a molecular weight of 416.85 g/mol, XLogP of 1.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate is sourced from PubChem (CID 23676035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).