1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl prop-2-enoate

C₇H₆F₆O₂CAS 53038-41-8236.11 g/mol

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Alkene Alkyl halide Ester

Properties

Molecular formula: C₇H₆F₆O₂
Molar mass: 236.11 g/mol
Exact mass: 236.0272 Da
logP: 2.60Crippen 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

53038-41-8

SMILES

CC(C(F)(F)F)(C(F)(F)F)OC(=O)C=C

InChIKey

ZGCKGVIUMPSSEG-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F6O2/c1-3-4(14)15-5(2,6(8,9)10)7(11,12)13/h3H,1H2,2H3

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Names and synonyms

1 names

Hexafluoro-2-methylisopropyl acrylate

Work with 1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl prop-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

Heptafluoroisopropyl acrylate13057-08-461 % similar tert-Butyl acrylate1663-39-457 % similar 1-Methylcyclopentyl prop-2-enoate178889-49-149 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-549 % similar 2-Propenoic acid 1-ethylcyclopentyl ester326925-69-346 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-645 % similar 2-Methyl-2-adamantyl acrylate249562-06-944 % similar Hexafluoroisopropyl acrylate2160-89-643 % similar

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

Same formula

Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate1513-60-6 Hexafluoroisopropyl methacrylate3063-94-3 2,2,3,4,4,4-Hexafluorobutyl acrylate54052-90-3

Elsewhere

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