chempirical

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

C11H5F15O2CAS 307-98-2454.14 g/mol

Open in Covalent MOL file
OOFFFFFFFFFFFFFFF
AlkeneAlkyl halideEster

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

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

Weigh it out

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

Names and synonyms

7 names
  • 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 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-propenoate424-64-688 % similar Perfluorohexylethyl acrylate17527-29-673 % similar 2-(Perfluorodecyl)ethyl 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 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate2993-85-369 % similar 1H,1H,9H-Hexadecafluorononyl acrylate4180-26-169 % similar

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

Elsewhere

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