Bis(2,2,2-trifluoroethyl) maleate

C₈H₆F₆O₄CAS 352-28-3280.12 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₈H₆F₆O₄
Molar mass: 280.12 g/mol
Exact mass: 280.0170 Da
logP: 1.75Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4
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

352-28-3

SMILES

C(C(F)(F)F)OC(=O)/C=C/C(=O)OCC(F)(F)F

InChIKey

KZTDZFZLDVZRCF-OWOJBTEDSA-N

InChI

InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+

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Names and synonyms

1 names

Bis(2,2,2-trifluoroethyl)maleate

Work with Bis(2,2,2-trifluoroethyl) maleate

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

2,2,2-Trifluoroethyl acrylate407-47-667 % similar Bis(1H,1H-perfluorooctyl)fumarate24120-18-153 % similar 2,2,2-Trifluoroethyl acetate406-95-150 % similar 2,2,2-Trifluoroethyl trifluoroacetate407-38-550 % similar Diethyl maleate141-05-944 % similar Diethyl fumarate623-91-644 % similar 2,2,2-Trifluoroethyl butanoate371-27-744 % similar 1H,1H,6H,6H-Perfluorohexane-1,6-diol diacrylate2264-01-942 % similar

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

Elsewhere

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