1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium

C19H37F6NO3S — CID 122481434

IUPAC1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium
SMILESCCCCCCCCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].CC[N+](CC)(CC)CC
InChIInChI=1S/C11H18F6O3S.C8H20N/c1-2-3-4-5-6-7-8-9(12,13)10(14,15)11(16,17)21(18,19)20;1-5-9(6-2,7-3)8-4/h2-8H2,1H3,(H,18,19,20);5-8H2,1-4H3/q;+1/p-1
InChIKeyDDVFSCKBIPSVRE-UHFFFAOYSA-M
MW473.56 g/mol
LogP6.03
Rot. Bonds14

About 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium

1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium (PubChem CID 122481434) has the molecular formula C19H37F6NO3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium
PubChem CID122481434
Molecular FormulaC19H37F6NO3S
Molecular Weight473.56 g/mol
Exact Mass473.24
IUPAC Name1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium
SMILESCCCCCCCCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].CC[N+](CC)(CC)CC
InChIInChI=1S/C11H18F6O3S.C8H20N/c1-2-3-4-5-6-7-8-9(12,13)10(14,15)11(16,17)21(18,19)20;1-5-9(6-2,7-3)8-4/h2-8H2,1H3,(H,18,19,20);5-8H2,1-4H3/q;+1/p-1
InChIKeyDDVFSCKBIPSVRE-UHFFFAOYSA-M
XLogP6.03
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3-hexafluoroheptane-1-sulfonate;tetraethylazanium
CID 122481488
potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate
CID 122481336
1,1,2,2,8,8,8-heptafluorooctane-1-sulfonate;tetraethylazanium
CID 141492168
10-fluoropentacosane-10-sulfonate;tetraethylazanium
CID 175157092
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonate;tetraethylazanium
CID 122482084
azanium 1,1,2,2,3,3,11,11,11-nonafluoroundecane-1-sulfonate
CID 141491973
dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate
CID 141492551
azanium 1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonate
CID 141492323
diethyl(dioctadecyl)azanium;1,1,2,2,2-pentafluoroethanesulfonate
CID 19898468
1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonic acid;tetraethylazanium
CID 175360661
sodium 1,1,2,2-tetrafluorohexane-1-sulfonate
CID 122481287
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;tributyl(ethyl)azanium
CID 21418864

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium?
The IUPAC name of 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium (CID 122481434) is 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium?
The canonical SMILES for 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium is CCCCCCCCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].CC[N+](CC)(CC)CC.
What is the InChIKey of 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium?
The InChIKey is DDVFSCKBIPSVRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18F6O3S.C8H20N/c1-2-3-4-5-6-7-8-9(12,13)10(14,15)11(16,17)21(18,19)20;1-5-9(6-2,7-3)8-4/h2-8H2,1H3,(H,18,19,20);5-8H2,1-4H3/q;+1/p-1.
What are the key properties of 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium?
1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium has a molecular weight of 473.56 g/mol, XLogP of 6.03, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium is sourced from PubChem (CID 122481434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).