(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl) prop-2-enoate

C₁₄H₉F₁₇O₃CAS 76962-34-0548.20 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ester

Properties

Molecular formula: C₁₄H₉F₁₇O₃
Molar mass: 548.20 g/mol
Exact mass: 548.0280 Da
logP: 5.48Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 11

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

76962-34-0

SMILES

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

InChIKey

DAEIFBGPFDVHNR-UHFFFAOYSA-N

InChI

InChI=1S/C14H9F17O3/c1-2-6(33)34-4-5(32)3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2,5,32H,1,3-4H2

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

Names and synonyms

1 names

3-(Perfluorooctyl)-2-hydroxypropyl acrylate

Work with (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl) 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

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl acrylate127377-12-2100 % similar 3-(Perfluorobutyl)-2-hydroxypropyl acrylate98573-25-297 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl acrylate307-98-263 % similar Perfluorohexylethyl acrylate17527-29-660 % similar 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl acrylate17741-60-560 % similar 2-(Perfluorooctyl)ethyl acrylate27905-45-960 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-propenoate52591-27-258 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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