triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

C11H16F11NO3S — CID 162396538

IUPACtriethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESCC[NH+](CC)CC.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H15N.C5HF11O3S/c1-4-7(5-2)6-3;6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h4-6H2,1-3H3;(H,17,18,19)
InChIKeyKWOCZGNQCCQHFZ-UHFFFAOYSA-N
MW451.30 g/mol
LogP2.52
Rot. Bonds7

About triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (PubChem CID 162396538) has the molecular formula C11H16F11NO3S and a molecular weight of 451.30 g/mol. Its IUPAC name is triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.

Molecular Properties

Compound Nametriethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
PubChem CID162396538
Molecular FormulaC11H16F11NO3S
Molecular Weight451.30 g/mol
Exact Mass451.07
IUPAC Nametriethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESCC[NH+](CC)CC.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H15N.C5HF11O3S/c1-4-7(5-2)6-3;6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h4-6H2,1-3H3;(H,17,18,19)
InChIKeyKWOCZGNQCCQHFZ-UHFFFAOYSA-N
XLogP2.52
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The IUPAC name of triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (CID 162396538) is triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.
What is the SMILES notation for triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The canonical SMILES for triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is CC[NH+](CC)CC.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The InChIKey is KWOCZGNQCCQHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5HF11O3S/c1-4-7(5-2)6-3;6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h4-6H2,1-3H3;(H,17,18,19).
What are the key properties of triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate has a molecular weight of 451.30 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is sourced from PubChem (CID 162396538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).