chempirical

4,4,5,5,6,6,7,7,8,9,9,9-Dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonylmethacrylate

C14H11F15O3CAS 16083-81-1512.22 g/mol

Open in Covalent MOL file
OOHOFFFFFFFFFFFFFFF
AlcoholAlkeneAlkyl halideEster

Properties

Molecular formula
C14H11F15O3
Molar mass
512.22 g/mol
Exact mass
512.0469 Da
logP
5.23Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Identifiers

CAS number
16083-81-1
SMILES
C=C(C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIKey
RPDBRTLKDYJCCE-UHFFFAOYSA-N
InChI
InChI=1S/C14H11F15O3/c1-5(2)7(31)32-4-6(30)3-8(15,16)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h6,30H,1,3-4H2,2H3

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

Names and synonyms

3 names
  • 2-Propenoic acid, 2-methyl-, 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl ester
  • Methacrylic acid, 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl ester
  • 1,2-Nonanediol, 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)-, 1-methacrylate

Work with 4,4,5,5,6,6,7,7,8,9,9,9-Dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonylmethacrylate

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-methyl-2-propenoate3934-23-455 % similar Perfluorooctylethyl methacrylate1996-88-953 % similar (Perfluorohexyl)ethyl methacrylate2144-53-853 % 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-propenoate2144-54-953 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl acrylate127377-12-252 % similar 2,2,3,3,3-Pentafluoropropyl methacrylate45115-53-551 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-methyl-2-propenoate13695-31-351 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methyl-2-propenoate1799-84-451 % similar

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

Elsewhere

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