chempirical

1H,1H,9H-Hexadecafluorononyl methacrylate

C13H8F16O2CAS 1841-46-9500.18 g/mol

Open in Covalent MOL file
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AlkeneAlkyl halideEster

Properties

Molecular formula
C13H8F16O2
Molar mass
500.18 g/mol
Exact mass
500.0269 Da
logP
5.82Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
10

Identifiers

CAS number
1841-46-9
SMILES
C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
XAENZTGUQXVFPQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F16O2/c1-4(2)5(30)31-3-7(16,17)9(20,21)11(24,25)13(28,29)12(26,27)10(22,23)8(18,19)6(14)15/h6H,1,3H2,2H3

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

Names and synonyms

5 names
  • 2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl ester
  • Methacrylic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl ester
  • 1H,1H,9H-Hexadecafluoro-1-nonyl methacrylate
  • 1,1,9-Trihydroperfluorononyl methacrylate
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl 2-methylprop-2-enoate

Work with 1H,1H,9H-Hexadecafluorononyl methacrylate

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

1,1,7-Trihydrododecafluoroheptyl methacrylate2261-99-6100 % similar 1H,1H,11H-Eicosafluoroundecyl methacrylate41123-44-8100 % similar 2,2,3,3,4,4,5,5-Octafluoropentyl methacrylate355-93-189 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-methyl-2-propenoate3934-23-471 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-methyl-2-propenoate13695-31-366 % similar 2,2,3,3-Tetrafluoropropyl methacrylate45102-52-162 % similar 2,2,3,3,3-Pentafluoropropyl methacrylate45115-53-559 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate2993-85-357 % similar

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

Elsewhere

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