Diethyl 2,2-difluoromalonate

C7H10F2O4CAS 680-65-9196.15 g/mol

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Alkyl halideEster

Properties

Molecular formula
C7H10F2O4
Molar mass
196.15 g/mol
Exact mass
196.0547 Da
logP
0.75Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
680-65-9
SMILES
CCOC(=O)C(C(=O)OCC)(F)F
InChIKey
WCRVWLHTROHXBB-UHFFFAOYSA-N
InChI
InChI=1S/C7H10F2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3

Weigh it out

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Work with Diethyl 2,2-difluoromalonate

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-difluoroacetoacetate2266-48-074 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-968 % similar Ethyl trifluoroacetate383-63-168 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-363 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-061 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-861 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-361 % similar Ethyl 2,2-dibromo-2-fluoroacetate565-53-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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