3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-propenoate

C₉H₇F₉O₂CAS 52591-27-2318.14 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₉H₇F₉O₂
Molar mass: 318.14 g/mol
Exact mass: 318.0302 Da
logP: 3.57Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

52591-27-2

SMILES

C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

GYUPEJSTJSFVRR-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2

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Names and synonyms

11 names

2-Propenoic acid, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester
R 1420
1H,1H,2H,2H-Nonafluorohexyl acrylate
3,3,4,4,5,5,6,6,6-Nonafluorohexyl acrylate
FAAC 4
Cheminox FAAC 4
2-(Perfluorobutyl)ethyl acrylate
Perfluorobutylethyl acrylate
1H,1H,2H,2H-Perfluorohexyl acrylate
3,3,4,4,5,5,6,6,6-Nonylfluorohexyl acrylate
3,3,4,4,5,5,6,6,6-Nonafluorohexyl prop-2-enoate

Work with 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perfluorohexylethyl acrylate17527-29-697 % similar 2-(Perfluorodecyl)ethyl acrylate17741-60-597 % similar 2-(Perfluorooctyl)ethyl acrylate27905-45-997 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-propenoate307-98-270 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-665 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl acrylate127377-12-258 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-557 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methyl-2-propenoate1799-84-453 % similar

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

Elsewhere

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