2,2-Difluoropropionic acid ethyl ester

C5H8F2O2CAS 28781-85-3138.11 g/mol

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Alkyl halideEster

Properties

Molecular formula
C5H8F2O2
Molar mass
138.11 g/mol
Exact mass
138.0492 Da
logP
1.20Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 11 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, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
28781-85-3
SMILES
CCOC(=O)C(C)(F)F
InChIKey
ISVLDAIKRGXNCZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8F2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3

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Names and synonyms

1 names
  • Ethyl 2,2-difluoropropanoate

Work with 2,2-Difluoropropionic acid ethyl ester

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

1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-963 % similar Ethyl trifluoroacetate383-63-163 % similar Diethyl 2,2-difluoromalonate680-65-963 % similar Ethyl pivalate3938-95-259 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-057 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-857 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-357 % similar Ethyl 2,2-dibromo-2-fluoroacetate565-53-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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