chempirical

1H,1H,9H-Hexadecafluorononyl acrylate

C12H6F16O2CAS 4180-26-1486.15 g/mol

Open in Covalent MOL file
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AlkeneAlkyl halideEster

Properties

Molecular formula
C12H6F16O2
Molar mass
486.15 g/mol
Exact mass
486.0112 Da
Boiling point
87–88 °C (at 6 Torr)
logP
5.43Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
10

Identifiers

CAS number
4180-26-1
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)C(F)F
InChIKey
QXDKTLFTMZTCKT-UHFFFAOYSA-N
InChI
InChI=1S/C12H6F16O2/c1-2-4(29)30-3-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h2,5H,1,3H2

Weigh it out

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

Names and synonyms

9 names
  • 2-Propenoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl ester
  • Acrylic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl ester
  • 1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-, acrylate
  • 1,1,9-Trihydroperfluorononyl acrylate
  • 1H,1H,9H-Hexadecafluoro-1-nonyl acrylate
  • 1H,1H,9H-Perfluorononyl acrylate
  • R 5810
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl acrylate
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl prop-2-enoate

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

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate2993-85-3100 % similar 1H,1H,11H-Eicosafluoroundecyl acrylate4998-38-3100 % similar 1H,1H,5H-Octafluoropentyl acrylate376-84-189 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-propenoate307-98-269 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-664 % similar 2,2,3,3-Tetrafluoropropyl acrylate7383-71-360 % similar 1H,1H,9H-Hexadecafluorononyl methacrylate1841-46-957 % similar 1,1,7-Trihydrododecafluoroheptyl methacrylate2261-99-657 % similar

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

Elsewhere

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