chempirical

1-Ethyl-3-methylimidazolium trifluoroacetate

C8H11F3N2O2CAS 174899-65-1224.18 g/mol

Open in Covalent MOL file
NN+OFFFO−
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8H11F3N2O2
Molar mass
224.18 g/mol
Exact mass
224.0773 Da
logP
-0.37Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
174899-65-1
SMILES
CCN1C=C[N+](=C1)C.C(=O)(C(F)(F)F)[O-]
InChIKey
JOKVYNJKBRLDAT-UHFFFAOYSA-M
InChI
InChI=1S/C6H11N2.C2HF3O2/c1-3-8-5-4-7(2)6-8;3-2(4,5)1(6)7/h4-6H,3H2,1-2H3;(H,6,7)/q+1;/p-1

Weigh it out

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

Work with 1-Ethyl-3-methylimidazolium trifluoroacetate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Trifluoroacetic acid76-05-1Free acid Trifluoroacetic acid-d599-00-8Free acid, labelled 1-Ethyl-3-methylimidazolium chloride65039-09-0Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt Sodium trifluoroacetate2923-18-4Salt 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-5Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt 1-Ethyl-3-methylimidazolium acetate143314-17-4Salt 1-Ethyl-3-methylimidazolium dicyanamide370865-89-7Salt 1-Ethyl-3-methylimidazolium bromide65039-08-9Salt 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-3Salt Mercuric trifluoroacetate13257-51-7Salt

Similar compounds

1-Butyl-3-methylimidazolium acetate284049-75-844 % similar 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-241 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-640 % similar 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate460345-16-839 % similar Palladium(II) trifluoroacetate42196-31-638 % similar 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-338 % similar 1-Hexyl-3-methylimidazolium tetrafluoroborate244193-50-838 % similar 1-Decyl-3-methylimidazolium tetrafluoroborate244193-56-438 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook