chempirical

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl acrylate

C12H9F13O3CAS 127377-12-2448.18 g/mol

Open in Covalent MOL file
OOFFFFFFFFFFFFFOH
AlcoholAlkeneAlkyl halideEster

Properties

Molecular formula
C12H9F13O3
Molar mass
448.18 g/mol
Exact mass
448.0344 Da
logP
4.21Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Identifiers

CAS number
127377-12-2
SMILES
C=CC(=O)OCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChIKey
GEEMGMOJBUUPBY-UHFFFAOYSA-N
InChI
InChI=1S/C12H9F13O3/c1-2-6(27)28-4-5(26)3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2,5,26H,1,3-4H2

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Names and synonyms

1 names
  • 3-Perfluorohexyl-2-hydroxypropyl acrylate

Work with 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl 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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-propenoate307-98-263 % similar Perfluorohexylethyl acrylate17527-29-660 % similar 2-(Perfluorodecyl)ethyl acrylate17741-60-560 % similar 2-(Perfluorooctyl)ethyl acrylate27905-45-960 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-propenoate52591-27-258 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-655 % similar 4,4,5,5,6,6,7,7,8,9,9,9-Dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonylmethacrylate16083-81-152 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-551 % similar

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

Elsewhere

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