Ethyl 2,2,3,3,3-pentafluoropropanoate

C₅H₅F₅O₂CAS 426-65-3192.09 g/mol

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Alkyl halide Ester

Properties

Molecular formula: C₅H₅F₅O₂
Molar mass: 192.09 g/mol
Exact mass: 192.0210 Da
Density: 1.289 g/mL (at 20 °C)
Melting point: 75.5 °C
Boiling point: 73 °C
logP: 1.75Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

426-65-3

SMILES

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

InChIKey

DBOFMRQAMAZKQY-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3

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Names and synonyms

8 names

Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester
Propionic acid, pentafluoro-, ethyl ester
Propanoic acid, pentafluoro-, ethyl ester
Ethyl pentafluoropropionate
Ethyl perfluoropropionate
Pentafluoropropanoic acid ethyl ester
Ethyl pentafluoropropanoate
Ethyl 2,2,3,3,3-pentafluoropropionate

Work with Ethyl 2,2,3,3,3-pentafluoropropanoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-980 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-476 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-871 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-771 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-571 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-071 % similar Ethyl trifluoroacetate383-63-161 % similar Ethyl 2-bromo-2,3,3,3-tetrafluoropropionate10186-73-959 % similar

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

Elsewhere

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