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

C12H25F4NO3S — CID 145140201

IUPACtetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate
SMILESCC(F)(F)C(F)(F)CS(=O)(=O)[O-].CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C4H6F4O3S/c1-5-9(6-2,7-3)8-4;1-3(5,6)4(7,8)2-12(9,10)11/h5-8H2,1-4H3;2H2,1H3,(H,9,10,11)/q+1;/p-1
InChIKeyUBYNXOPIFWDXDH-UHFFFAOYSA-M
MW339.40 g/mol
LogP2.70
Rot. Bonds7

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

tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate (PubChem CID 145140201) has the molecular formula C12H25F4NO3S and a molecular weight of 339.40 g/mol. Its IUPAC name is tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate.

Molecular Properties

Compound Nametetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate
PubChem CID145140201
Molecular FormulaC12H25F4NO3S
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Nametetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate
SMILESCC(F)(F)C(F)(F)CS(=O)(=O)[O-].CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C4H6F4O3S/c1-5-9(6-2,7-3)8-4;1-3(5,6)4(7,8)2-12(9,10)11/h5-8H2,1-4H3;2H2,1H3,(H,9,10,11)/q+1;/p-1
InChIKeyUBYNXOPIFWDXDH-UHFFFAOYSA-M
XLogP2.70
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

1,1,2,2,3,3,4,4-octafluoropentane;bis(tetraethylazanium);sulfate
CID 173083838
sodium;tetraethylazanium;sulfate
CID 139985326
1,1-difluorobutane-1-sulfonate;tetraethylazanium
CID 122481605
1,1,2,2,3-pentafluoropentane-1-sulfonate;tetraethylazanium
CID 122481508
1,1,2,2,3,5,5,5-octafluoropentane-1-sulfonate;tetraethylazanium
CID 141492481
1,1,2,2,3,3-hexafluoroheptane-1-sulfonate;tetraethylazanium
CID 122481488
1,1,2,2,8,8,8-heptafluorooctane-1-sulfonate;tetraethylazanium
CID 141492168
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-2-sulfonate;tetraethylazanium
CID 87186931
potassium 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-sulfonate
CID 141492237
10-fluoropentacosane-10-sulfonate;tetraethylazanium
CID 175157092
1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481434
1,1,2,2,3,3,4,6,6,6-decafluorohexane-1-sulfonate;tetraethylazanium
CID 141491835

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate?
The IUPAC name of tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate (CID 145140201) is tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate.
What is the SMILES notation for tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate?
The canonical SMILES for tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate is CC(F)(F)C(F)(F)CS(=O)(=O)[O-].CC[N+](CC)(CC)CC.
What is the InChIKey of tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate?
The InChIKey is UBYNXOPIFWDXDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C4H6F4O3S/c1-5-9(6-2,7-3)8-4;1-3(5,6)4(7,8)2-12(9,10)11/h5-8H2,1-4H3;2H2,1H3,(H,9,10,11)/q+1;/p-1.
What are the key properties of tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate?
tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate has a molecular weight of 339.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;2,2,3,3-tetrafluorobutane-1-sulfonate is sourced from PubChem (CID 145140201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).