chempirical

Ethyl 2-methyl-4,4,4-trifluorobutyrate

C7H11F3O2CAS 136564-76-6184.16 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEster

Properties

Molecular formula
C7H11F3O2
Molar mass
184.16 g/mol
Exact mass
184.0711 Da
logP
2.14Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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
136564-76-6
SMILES
CCOC(=O)C(C)CC(F)(F)F
InChIKey
ANNZGOFOWCNVBU-UHFFFAOYSA-N
InChI
InChI=1S/C7H11F3O2/c1-3-12-6(11)5(2)4-7(8,9)10/h5H,3-4H2,1-2H3

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Work with Ethyl 2-methyl-4,4,4-trifluorobutyrate

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

Ethyl 2-methylbutanoate7452-79-159 % similar Manzanate39255-32-856 % similar Ethyl 3,3-difluorocyclobutane-1-carboxylate681128-38-154 % similar Ethyl 2-[bis(2,2,2-trifluoroethyl)phosphono] propionate107905-52-254 % similar Ethyl 2-methyl-4,4,4-trifluoroacetoacetate344-00-351 % similar Ethyl 2-methyl-4-pentenoate53399-81-851 % similar Ethyl 2-fluoropropionate127306-59-650 % similar Ethyl 2-fluoropropionate349-43-950 % similar

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

Elsewhere

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