Ethyl 4,4,4-trifluorobutyrate

C₆H₉F₃O₂CAS 371-26-6170.13 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₆H₉F₃O₂
Molar mass: 170.13 g/mol
Exact mass: 170.0555 Da
logP: 1.89Crippen estimate
Polar surface area: 26.3 Å²
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

371-26-6

SMILES

CCOC(=O)CCC(F)(F)F

InChIKey

PSRZMXNNQTWAGB-UHFFFAOYSA-N

InChI

InChI=1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3

Weigh it out

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

Work with Ethyl 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

4,4-Difluoroheptanedioic acid diethyl ester22515-16-872 % similar Ethyl 3,3,3-trifluoropropionate352-23-866 % similar Diethyl succinate123-25-162 % similar Diethyl glutarate818-38-259 % similar Diethyl adipate141-28-657 % similar Ethyl butyrate105-54-455 % similar Diethyl sebacate110-40-755 % similar Diethyl pimelate2050-20-655 % similar

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

Same formula

Butyl 2,2,2-trifluoroacetate367-64-6 2,2,2-Trifluoroethyl butanoate371-27-7

Elsewhere

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