chempirical

1H,1H,11H-Eicosafluoroundecyl acrylate

C14H6F20O2CAS 4998-38-3586.17 g/mol

Open in Covalent MOL file
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AlkeneAlkyl halideEster

Properties

Molecular formula
C14H6F20O2
Molar mass
586.17 g/mol
Exact mass
586.0048 Da
logP
6.70Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
12

Identifiers

CAS number
4998-38-3
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)C(F)(F)C(F)F
InChIKey
ASJLMYWCUSHRIW-UHFFFAOYSA-N
InChI
InChI=1S/C14H6F20O2/c1-2-4(35)36-3-6(17,18)8(21,22)10(25,26)12(29,30)14(33,34)13(31,32)11(27,28)9(23,24)7(19,20)5(15)16/h2,5H,1,3H2

Weigh it out

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

Names and synonyms

4 names
  • 2-Propenoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoroundecyl ester
  • Acrylic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoroundecyl ester
  • 1-Undecanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-, acrylate
  • 1H,1H,11H-Eicosafluoro-1-undecyl acrylate

Work with 1H,1H,11H-Eicosafluoroundecyl 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,9H-Hexadecafluorononyl acrylate4180-26-1100 % 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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