2,2-Difluoropropionic acid ethyl ester

C₅H₈F₂O₂CAS 28781-85-3138.11 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₅H₈F₂O₂
Molar mass: 138.11 g/mol
Exact mass: 138.0492 Da
logP: 1.20Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Weigh it out

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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 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 Ethyl bromodifluoroacetate667-27-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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