tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid

C14H23F11NO3S+ — CID 175158565

IUPACtetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid
SMILESCC[N+](CC)(CC)CC.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H20N.C6H3F11O3S/c1-5-9(6-2,7-3)8-4;7-2(8,1-3(9,10)11)4(12,13)5(14,15)6(16,17)21(18,19)20/h5-8H2,1-4H3;1H2,(H,18,19,20)/q+1;
InChIKeyDTRPRDPRJXIDAA-UHFFFAOYSA-N
MW494.39 g/mol
LogP5.21
Rot. Bonds9

About tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid

tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid (PubChem CID 175158565) has the molecular formula C14H23F11NO3S+ and a molecular weight of 494.39 g/mol. Its IUPAC name is tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid.

Molecular Properties

Compound Nametetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid
PubChem CID175158565
Molecular FormulaC14H23F11NO3S+
Molecular Weight494.39 g/mol
Exact Mass494.12
IUPAC Nametetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid
SMILESCC[N+](CC)(CC)CC.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H20N.C6H3F11O3S/c1-5-9(6-2,7-3)8-4;7-2(8,1-3(9,10)11)4(12,13)5(14,15)6(16,17)21(18,19)20/h5-8H2,1-4H3;1H2,(H,18,19,20)/q+1;
InChIKeyDTRPRDPRJXIDAA-UHFFFAOYSA-N
XLogP5.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid
CID 175529601
1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonic acid;tetraethylazanium
CID 175360661
1,1,2,2,4,4,4-heptafluorobutane-1-sulfonic acid;N-methylmethanamine
CID 175157246
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,12,12,12-tricosafluorododecane-1-sulfonyl fluoride
CID 89466590
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecane-1-sulfonic acid
CID 171927807
methylsulfanylmethane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 162540843
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
azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,12,12,12-heptadecafluorododecane-1-sulfonic acid
CID 175161760
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171
azane;1,1,2,2,3,3,4,4,5,5,6,6,12,12,12-pentadecafluorododecane-1-sulfonic acid
CID 175159561
N,N-diethylethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 170852082
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid?
The IUPAC name of tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid (CID 175158565) is tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid.
What is the SMILES notation for tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid?
The canonical SMILES for tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid is CC[N+](CC)(CC)CC.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid?
The InChIKey is DTRPRDPRJXIDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C6H3F11O3S/c1-5-9(6-2,7-3)8-4;7-2(8,1-3(9,10)11)4(12,13)5(14,15)6(16,17)21(18,19)20/h5-8H2,1-4H3;1H2,(H,18,19,20)/q+1;.
What are the key properties of tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid?
tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid has a molecular weight of 494.39 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid is sourced from PubChem (CID 175158565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).