chempirical

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate

C10H6F12O2CAS 2993-85-3386.14 g/mol

Open in Covalent MOL file
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AlkeneAlkyl halideEster

Properties

Molecular formula
C10H6F12O2
Molar mass
386.14 g/mol
Exact mass
386.0176 Da
Boiling point
56–58 °C (at 6 Torr)
logP
4.16Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
2993-85-3
SMILES
C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
QJEJDNMGOWJONG-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2

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

Names and synonyms

10 names
  • 2-Propenoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
  • Acrylic 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-, acrylate
  • 1H,1H,7H-Dodecafluoro-1-heptyl acrylate
  • 1,1,7-Trihydrododecafluoroheptyl acrylate
  • 1,1,7-Trihydroperfluoroheptyl acrylate
  • R 5610
  • 1H,1H,7H-Perfluoroheptyl acrylate
  • 1H,1H,7H-Dodecafluoroheptyl acrylate
  • 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl prop-2-enoate

Work with 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl 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

1H,1H,9H-Hexadecafluorononyl acrylate4180-26-1100 % 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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