Ethyl 9H-perfluorononanoate

C11H6F16O2CAS 1799-47-9474.14 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C11H6F16O2
Molar mass
474.14 g/mol
Exact mass
474.0112 Da
logP
5.26Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Hazards

Danger
Flammable (GHS02)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
1799-47-9
SMILES
CCOC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
HRSRZMSDVRJBEZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H6F16O2/c1-2-29-4(28)6(16,17)8(20,21)10(24,25)11(26,27)9(22,23)7(18,19)5(14,15)3(12)13/h3H,2H2,1H3

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Work with Ethyl 9H-perfluorononanoate

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

Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-766 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-566 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-066 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-866 % similar Ethyl perfluoropentanoate424-36-263 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-461 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-957 % similar Ethyl hexafluoroglutaryl chloride18381-53-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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