chempirical

(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl) prop-2-enoate

C14H9F17O3CAS 76962-34-0548.20 g/mol

Open in Covalent MOL file
OOFFFFFFFFFFFFFFFFFOH
AlcoholAlkeneAlkyl halideEster

Properties

Molecular formula
C14H9F17O3
Molar mass
548.20 g/mol
Exact mass
548.0280 Da
logP
5.48Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
76962-34-0
SMILES
C=CC(=O)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChIKey
DAEIFBGPFDVHNR-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F17O3/c1-2-6(33)34-4-5(32)3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2,5,32H,1,3-4H2

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Names and synonyms

1 names
  • 3-(Perfluorooctyl)-2-hydroxypropyl acrylate

Work with (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl) prop-2-enoate

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

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl acrylate127377-12-2100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl acrylate307-98-263 % similar Perfluorohexylethyl acrylate17527-29-660 % similar 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl 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)nonyl methacrylate16083-81-152 % similar

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

Elsewhere

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