Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

C₆H₅F₇O₂CAS 356-27-4242.09 g/mol

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Alkyl halide Ester

Properties

Molecular formula: C₆H₅F₇O₂
Molar mass: 242.09 g/mol
Exact mass: 242.0178 Da
Density: 1.4 g/mL
Boiling point: 95 °C
logP: 2.38Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

356-27-4

SMILES

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

InChIKey

JVHJRIQPDBCRRE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3

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Names and synonyms

9 names

Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
Butyric acid, heptafluoro-, ethyl ester
Butanoic acid, heptafluoro-, ethyl ester
Ethyl perfluorobutyrate
Ethyl heptafluorobutyrate
Ethyl heptafluorobutanoate
Ethyl perfluorobutanoate
NSC 3639
Ethyl 2,2,3,3,4,4,4-heptafluorobutyrate

Work with Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

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

Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-787 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-587 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-087 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-882 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-376 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-971 % similar Butyl 2,2,3,3,4,4,4-heptafluorobutanoate1559-07-566 % similar Heptafluorobutyric anhydride336-59-460 % similar

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

Elsewhere

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