2,2,3,4,4,4-Hexafluorobutyl acrylate

C₇H₆F₆O₂CAS 54052-90-3236.11 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₇H₆F₆O₂
Molar mass: 236.11 g/mol
Exact mass: 236.0272 Da
logP: 2.25Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

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

54052-90-3

SMILES

C=CC(=O)OCC(C(C(F)(F)F)F)(F)F

InChIKey

LMVLEDTVXAGBJV-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F6O2/c1-2-4(14)15-3-6(9,10)5(8)7(11,12)13/h2,5H,1,3H2

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Work with 2,2,3,4,4,4-Hexafluorobutyl acrylate

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

2,2,3,3-Tetrafluoropropyl acrylate7383-71-369 % similar 2,2,2-Trifluoroethyl acrylate407-47-656 % similar 2,2,3,4,4,4-Hexafluorobutyl methacrylate36405-47-753 % similar 1H,1H,6H,6H-Perfluorohexane-1,6-diol diacrylate2264-01-953 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-553 % similar Pentaerythritol tetraacrylate4986-89-451 % similar 1H,1H,5H-Octafluoropentyl acrylate376-84-151 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate2993-85-349 % 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 1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl prop-2-enoate53038-41-8

Elsewhere

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