1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate

C₉H₁₀F₆O₄CAS 424-40-8296.17 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₉H₁₀F₆O₄
Molar mass: 296.17 g/mol
Exact mass: 296.0483 Da
Boiling point: 76 °C (at 5 Torr)
logP: 2.02Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H314 Causes severe skin burns and eye damage25% of notifiers
H315 Causes skin irritation62.5% of notifiers
H319 Causes serious eye irritation62.5% of notifiers
H330 Fatal if inhaled12.5% of notifiers
H332 Harmful if inhaled75% of notifiers
H335 May cause respiratory irritation62.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

424-40-8

SMILES

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

InChIKey

MSDPXVBLFJODJO-UHFFFAOYSA-N

InChI

InChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3

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

Names and synonyms

6 names

Pentanedioic acid, 2,2,3,3,4,4-hexafluoro-, 1,5-diethyl ester
Glutaric acid, hexafluoro-, diethyl ester
Pentanedioic acid, hexafluoro-, diethyl ester
Diethyl hexafluoroglutarate
Diethyl perfluoroglutarate
NSC 63360

Work with 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate

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 2,2,3,3,4,4,4-heptafluorobutanoate356-27-482 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-980 % similar Ethyl perfluoropentanoate424-36-279 % similar Ethyl hexafluoroglutaryl chloride18381-53-877 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-777 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-577 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-077 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-371 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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