Ethyl 3,3,3-trifluoropropionate

C₅H₇F₃O₂CAS 352-23-8156.10 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₅H₇F₃O₂
Molar mass: 156.10 g/mol
Exact mass: 156.0398 Da
logP: 1.50Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

352-23-8

SMILES

CCOC(=O)CC(F)(F)F

InChIKey

FMDMKDPUFQNVSH-UHFFFAOYSA-N

InChI

InChI=1S/C5H7F3O2/c1-2-10-4(9)3-5(6,7)8/h2-3H2,1H3

Weigh it out

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

Work with Ethyl 3,3,3-trifluoropropionate

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 4,4,4-trifluorobutyrate371-26-666 % similar 4,4-Difluoroheptanedioic acid diethyl ester22515-16-855 % similar Diethyl malonate105-53-354 % similar Diethyl succinate123-25-154 % similar Ethyl fluoroacetate459-72-354 % similar Ethyl 4,4,4-trifluoroacetoacetate372-31-653 % similar Fructone6413-10-153 % similar Ethyl propionate105-37-352 % similar

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

Same formula

4,4,4-Trifluoro-3-methylbutanoic acid348-75-4 Isopropyl trifluoroacetate400-38-4 3,3,3-Trifluoro-2,2-dimethylpropanoic acid889940-13-0

Elsewhere

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