3-(Perfluorobutyl)-2-hydroxypropyl acrylate

C₁₀H₉F₉O₃CAS 98573-25-2348.16 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ester

Properties

Molecular formula: C₁₀H₉F₉O₃
Molar mass: 348.16 g/mol
Exact mass: 348.0408 Da
logP: 2.93Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, P501

Identifiers

CAS number

98573-25-2

SMILES

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

InChIKey

MMZXPRQMECEMRJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H9F9O3/c1-2-6(21)22-4-5(20)3-7(11,12)8(13,14)9(15,16)10(17,18)19/h2,5,20H,1,3-4H2

Weigh it out

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Names and synonyms

1 names

4,4,5,5,6,6,7,7,7-Nonafluoro-2-hydroxyheptyl acrylate

Work with 3-(Perfluorobutyl)-2-hydroxypropyl 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

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl acrylate127377-12-297 % similar (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl) prop-2-enoate76962-34-097 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl acrylate307-98-260 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-propenoate52591-27-259 % similar Perfluorohexylethyl acrylate17527-29-658 % similar 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl acrylate17741-60-558 % similar 2-(Perfluorooctyl)ethyl acrylate27905-45-958 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-656 % similar

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

Elsewhere

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