chempirical

Tetraethylammonium trifluoromethanesulfonate

C9H20F3NO3SCAS 35895-69-3279.32 g/mol

Open in Covalent MOL file
N+OSOO−FFF
Alkyl halideQuaternary ammoniumSulfonic acid

Properties

Molecular formula
C9H20F3NO3S
Molar mass
279.32 g/mol
Exact mass
279.1116 Da
logP
1.93Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
35895-69-3
SMILES
CC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)F
InChIKey
PUZYNDBTWXJXKN-UHFFFAOYSA-M
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Ethanaminium, N,N,N-triethyl-, 1,1,1-trifluoromethanesulfonate (1:1)
  • Ethanaminium, N,N,N-triethyl-, salt with trifluoromethanesulfonic acid (1:1)
  • Methanesulfonic acid, trifluoro-, ion(1-), N,N,N-triethylethanaminium
  • Tetraethylammonium perfluoromethylsulfonate
  • Tetraethylammonium triflate

Work with Tetraethylammonium trifluoromethanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetrabutylammonium trifluoromethanesulfonate35895-70-663 % similar Praseodymium triflate52093-27-362 % similar Lutetium(III) trifluoromethanesulfonate126857-69-056 % similar Indium(III) trifluoromethanesulfonate128008-30-056 % similar Erbium triflate139177-64-356 % similar Scandium(III) trifluoromethanesulfonate144026-79-956 % similar Barium bis(trifluoromethanesulfonate)2794-60-756 % similar Silver trifluoromethanesulfonate2923-28-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook