chempirical

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-methyl-2-propenoate

C12H7F15O2CAS 3934-23-4468.16 g/mol

Open in Covalent MOL file
OOFFFFFFFFFFFFFFF
AlkeneAlkyl halideEster

Properties

Molecular formula
C12H7F15O2
Molar mass
468.16 g/mol
Exact mass
468.0207 Da
Boiling point
95–102 °C (at NaN Torr)
logP
5.48Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
3934-23-4
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)F
InChIKey
RUEKTOVLVIXOHT-UHFFFAOYSA-N
InChI
InChI=1S/C12H7F15O2/c1-4(2)5(28)29-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1,3H2,2H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl ester
  • Methacrylic 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-, methacrylate
  • 1H,1H-Pentadecafluoro-1-octyl methacrylate
  • 1H,1H-Pentadecafluorooctyl methacrylate
  • 1,1-Dihydroperfluorooctyl methacrylate
  • Nyebar
  • 1H,1H-Perfluorooctyl methacrylate
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl methacrylate

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

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-methyl-2-propenoate13695-31-388 % similar Perfluorooctylethyl methacrylate1996-88-974 % similar (Perfluorohexyl)ethyl methacrylate2144-53-874 % similar 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyl 2-methyl-2-propenoate2144-54-974 % similar 2,2,3,3,3-Pentafluoropropyl methacrylate45115-53-574 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methyl-2-propenoate1799-84-472 % similar 1H,1H,9H-Hexadecafluorononyl methacrylate1841-46-971 % similar 1,1,7-Trihydrododecafluoroheptyl methacrylate2261-99-671 % similar

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

Elsewhere

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