chempirical

2,2,2-Trifluoroethyl acetate

C4H5F3O2CAS 406-95-1142.08 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEster

Properties

Molecular formula
C4H5F3O2
Molar mass
142.08 g/mol
Exact mass
142.0242 Da
logP
1.11Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
406-95-1
SMILES
CC(=O)OCC(F)(F)F
InChIKey
ZOWSJJBOQDKOHI-UHFFFAOYSA-N
InChI
InChI=1S/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3

Weigh it out

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Work with 2,2,2-Trifluoroethyl acetate

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

Pentaerythrityl tetraacetate597-71-763 % similar 2,2,2-Trifluoroethyl methacrylate352-87-452 % similar Glycol diacetate111-55-750 % similar Bis(2,2,2-trifluoroethyl) maleate352-28-350 % similar 2,2,2-Trifluoroethyl trifluoroacetate407-38-550 % similar 1,3-Diacetoxyacetone6946-10-750 % similar 2,2,2-Trifluoroethyl butanoate371-27-748 % similar Ethyl acetate141-78-646 % similar

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

Same formula

Ethyl trifluoroacetate383-63-1 4,4,4-Trifluorobutanoic acid406-93-9

Elsewhere

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