chempirical

1,1,7-Trihydrododecafluoroheptyl methacrylate

C11H8F12O2CAS 2261-99-6400.16 g/mol

Open in Covalent MOL file
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AlkeneAlkyl halideEster

Properties

Molecular formula
C11H8F12O2
Molar mass
400.16 g/mol
Exact mass
400.0333 Da
Boiling point
112 °C (at 40 Torr)
logP
4.55Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
2261-99-6
SMILES
C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
YJKHMSPWWGBKTN-UHFFFAOYSA-N
InChI
InChI=1S/C11H8F12O2/c1-4(2)5(24)25-3-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h6H,1,3H2,2H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
  • Methacrylic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
  • 1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, methacrylate
  • α,α,ω-Trihydroperfluoroheptyl methacrylate
  • 1H,1H,7H-Dodecafluoroheptyl methacrylate
  • M 5610
  • 1H,1H,7H-Perfluoroheptyl methacrylate
  • 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl 2-methylprop-2-enoate

Work with 1,1,7-Trihydrododecafluoroheptyl 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

1H,1H,9H-Hexadecafluorononyl methacrylate1841-46-9100 % 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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