Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate

C₇H₁₁F₃O₃CAS 91600-33-8200.16 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ester

Properties

Molecular formula: C₇H₁₁F₃O₃
Molar mass: 200.16 g/mol
Exact mass: 200.0660 Da
logP: 1.11Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
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

91600-33-8

SMILES

CCOC(=O)C(C)C(C(F)(F)F)O

InChIKey

MFRIOKNLYRUYHP-UHFFFAOYSA-N

InChI

InChI=1S/C7H11F3O3/c1-3-13-6(12)4(2)5(11)7(8,9)10/h4-5,11H,3H2,1-2H3

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Names and synonyms

1 names

Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate

Work with Ethyl 3-hydroxy-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 lactate687-47-850 % similar Ethyl lactate97-64-350 % similar 3,3,3-Trifluoroalanine ethyl ester hydrochloride193140-71-549 % similar (-)-Diethyl tartrate13811-71-749 % similar Diethyl tartrate87-91-249 % similar Ethyl 2-methyl-4,4,4-trifluorobutyrate136564-76-648 % similar Ethyl 2-methyl-4,4,4-trifluoroacetoacetate344-00-348 % similar Ethyl 4,4,4-trifluoro-3-hydroxybutanoate372-30-546 % similar

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

Elsewhere

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