Ethyl 4,4,4-trifluoro-3-methylbut-2-enoate

C₇H₉F₃O₂CAS 24490-03-7182.14 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₇H₉F₃O₂
Molar mass: 182.14 g/mol
Exact mass: 182.0555 Da
logP: 2.06Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

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

24490-03-7

SMILES

CCOC(=O)/C=C(\C)/C(F)(F)F

InChIKey

OSZLARYVWBUKTG-SNAWJCMRSA-N

InChI

InChI=1S/C7H9F3O2/c1-3-12-6(11)4-5(2)7(8,9)10/h4H,3H2,1-2H3/b5-4+

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Names and synonyms

1 names

Ethyl 3-(trifluoromethyl)crotonate

Work with Ethyl 4,4,4-trifluoro-3-methylbut-2-enoate

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-trifluoro-3-(trifluoromethyl)crotonate1513-60-669 % similar Ethyl 3-amino-4,4,4-trifluoro-2-butenoate372-29-263 % similar Ethyl 3-(methylamino)-4,4,4-trifluoro-2-butenoate121303-76-261 % similar Ethyl 3,3-dimethylacrylate638-10-856 % similar Ethyl 3,3-diethoxy-2-propenoate32002-24-753 % similar Ethyl 3-aminocrotonate626-34-651 % similar Ethyl β-aminocrotonate7318-00-551 % similar Ethyl (2E)-4,4,4-trifluoro-2-butenoate25597-16-450 % similar

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

Same formula

Ethyl 2-methyl-4,4,4-trifluorocrotonate128227-97-4 Poly(difluoromethylene), α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-65530-66-7

Elsewhere

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