(3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

C₆H₇F₃O₂CAS 59938-06-6168.12 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ether Ketone

Properties

Molecular formula: C₆H₇F₃O₂
Molar mass: 168.12 g/mol
Exact mass: 168.0398 Da
logP: 1.67Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

59938-06-6

SMILES

CCO/C=C/C(=O)C(F)(F)F

InChIKey

YKYIFUROKBDHCY-ONEGZZNKSA-N

InChI

InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+

Weigh it out

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

Names and synonyms

6 names

3-Buten-2-one, 4-ethoxy-1,1,1-trifluoro-, (3E)-
3-Buten-2-one, 4-ethoxy-1,1,1-trifluoro-, (E)-
(3E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one
trans-4-Ethoxy-1,1,1-trifluoro-3-butene-2-one
(E)-4-Ethoxy-1,1,1-trifluoro-but-3-en-2-one
(E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

Work with (3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

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 3-ethoxy-2-propenoate1001-26-950 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-950 % similar 3-Ethoxy-2-propenoyl chloride6191-99-748 % similar Ethyl trifluoroacetate383-63-147 % similar Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate571-55-145 % similar Ethyl 3,3,3-trifluoro-2-oxopropanoate13081-18-043 % similar Ethyl 3-amino-4,4,4-trifluoro-2-butenoate372-29-241 % similar Ethyl 4,4,4-trifluoroacetoacetate372-31-641 % similar

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

Same formula

Ethyl (2E)-4,4,4-trifluoro-2-butenoate25597-16-4 1-(Trifluoromethyl)cyclobutanecarboxylic acid277756-45-3 2,2,2-Trifluoroethyl methacrylate352-87-4

Elsewhere

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