chempirical

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-propenoate

C16H9F21O2CAS 2144-54-9632.21 g/mol

Open in Covalent MOL file
OOFFFFFFFFFFFFFFFFFFFFF
AlkeneAlkyl halideEster

Properties

Molecular formula
C16H9F21O2
Molar mass
632.21 g/mol
Exact mass
632.0267 Da
Boiling point
95–100 °C
logP
7.78Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
12

Identifiers

CAS number
2144-54-9
SMILES
C=C(C)C(=O)OCCC(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)F
InChIKey
FQHLOOOXLDQLPF-UHFFFAOYSA-N
InChI
InChI=1S/C16H9F21O2/c1-5(2)6(38)39-4-3-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h1,3-4H2,2H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 2-methyl-, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl ester
  • Methacrylic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl ester
  • 1-Dodecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluoro-, methacrylate
  • 2-(Perfluorodecyl)ethyl methacrylate
  • Perfluorodecylethyl methacrylate
  • 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyl methacrylate

Work with 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-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perfluorooctylethyl methacrylate1996-88-9100 % similar (Perfluorohexyl)ethyl methacrylate2144-53-8100 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methyl-2-propenoate1799-84-497 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-methyl-2-propenoate3934-23-474 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-methyl-2-propenoate13695-31-365 % similar Poly(difluoromethylene), α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-65530-66-762 % similar 2,2,3,3,3-Pentafluoropropyl methacrylate45115-53-557 % similar Perfluorohexylethyl acrylate17527-29-655 % similar

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

Elsewhere

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