Ethyl perfluoropentanoate

C₇H₅F₉O₂CAS 424-36-2292.10 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₇H₅F₉O₂
Molar mass: 292.10 g/mol
Exact mass: 292.0146 Da
logP: 3.02Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

424-36-2

SMILES

CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChIKey

JBEYNXOZKKQLOH-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F9O2/c1-2-18-3(17)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3

Weigh it out

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

Work with Ethyl perfluoropentanoate

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-heptadecafluorononanoate30377-52-797 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-597 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-097 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-490 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-879 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-373 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-969 % similar Ethyl hexafluoroglutaryl chloride18381-53-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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