tetraethylazanium;trifluoromethanesulfonate

C9H20F3NO3S — CID 2776566

IUPACtetraethylazanium;trifluoromethanesulfonate
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C8H20N.CHF3O3S/c1-5-9(6-2,7-3)8-4;2-1(3,4)8(5,6)7/h5-8H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKeyPUZYNDBTWXJXKN-UHFFFAOYSA-M
MW279.32 g/mol
LogP1.93
Rot. Bonds4

About tetraethylazanium;trifluoromethanesulfonate

tetraethylazanium;trifluoromethanesulfonate (PubChem CID 2776566) has the molecular formula C9H20F3NO3S and a molecular weight of 279.32 g/mol. Its IUPAC name is tetraethylazanium;trifluoromethanesulfonate.

Molecular Properties

Compound Nametetraethylazanium;trifluoromethanesulfonate
PubChem CID2776566
Molecular FormulaC9H20F3NO3S
Molecular Weight279.32 g/mol
Exact Mass279.11
IUPAC Nametetraethylazanium;trifluoromethanesulfonate
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C8H20N.CHF3O3S/c1-5-9(6-2,7-3)8-4;2-1(3,4)8(5,6)7/h5-8H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKeyPUZYNDBTWXJXKN-UHFFFAOYSA-M
XLogP1.93
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrabutylammonium Trifluoromethanesulfonate
CID 2733306
Tetraethylammonium bistrifluoromethanesulfonimidate
CID 16218644
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
CID 71565
N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
Trimethylethyl ammonium trifluoromethanesulfonate
CID 87457650
Triethyl(trifluoromethylsulfonyl)azanium;trifluoromethanesulfonate
CID 134917356
Tetrapropylammonium trifluoromethanesulphonate
CID 3084619
Methyl-tris(2-methylpropyl)azanium;trifluoromethanesulfonate
CID 11187183
Ethyl-methyl-di(propan-2-yl)azanium;trifluoromethanesulfonate
CID 11300844
Tributylmethylammonium trifluoromethanesulfonate
CID 11325541
Triethylmethylammonium triflate
CID 11402856
Methyl(tripropyl)azanium;trifluoromethanesulfonate
CID 11771226

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;trifluoromethanesulfonate?
The IUPAC name of tetraethylazanium;trifluoromethanesulfonate (CID 2776566) is tetraethylazanium;trifluoromethanesulfonate.
What is the SMILES notation for tetraethylazanium;trifluoromethanesulfonate?
The canonical SMILES for tetraethylazanium;trifluoromethanesulfonate is CC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of tetraethylazanium;trifluoromethanesulfonate?
The InChIKey is PUZYNDBTWXJXKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.CHF3O3S/c1-5-9(6-2,7-3)8-4;2-1(3,4)8(5,6)7/h5-8H2,1-4H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of tetraethylazanium;trifluoromethanesulfonate?
tetraethylazanium;trifluoromethanesulfonate has a molecular weight of 279.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;trifluoromethanesulfonate is sourced from PubChem (CID 2776566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).