2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl acrylate

C₁₁H₅F₁₅O₂CAS 307-98-2454.14 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₁₁H₅F₁₅O₂
Molar mass: 454.14 g/mol
Exact mass: 454.0050 Da
Boiling point: 188 °C (at 740 Torr)
logP: 5.09Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 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

307-98-2

SMILES

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

InChIKey

YSQGYEYXKXGAQA-UHFFFAOYSA-N

InChI

InChI=1S/C11H5F15O2/c1-2-4(27)28-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2

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

Names and synonyms

8 names

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-propenoate
2-Propenoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl ester
Acrylic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl ester
1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, acrylate
1,1-Dihydroperfluorooctyl acrylate
1H,1H-Pentadecafluorooctyl acrylate
1H,1H-Perfluorooctyl acrylate
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl prop-2-enoate

Work with 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 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

2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-688 % similar 1H,1H,6H,6H-Perfluorohexane-1,6-diol diacrylate2264-01-984 % similar Bis(1H,1H-perfluorooctyl)fumarate24120-18-174 % similar Perfluorohexylethyl acrylate17527-29-673 % similar 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl acrylate17741-60-573 % similar 2-(Perfluorooctyl)ethyl acrylate27905-45-973 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-573 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-propenoate52591-27-270 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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