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

Warning

H226 Flammable liquid and vapor97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

Weigh it out

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

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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