CAS 371-26-6|ethyl 4,4,4-trifluorobutanoate|Ethyl 4,4,4-trifluorobutyrate|ethyl 4,4,4-trifluorobutanoate|Ethyl 4,4,4-trifluorobutyrate|4,4,4-三氟丁酸乙酯|4,4,4-Trifluorobutyric acid ethyl ester|Ethy...

InChI=1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3

PSRZMXNNQTWAGB-UHFFFAOYSA-N

O(CC)C(=O)CCC(F)(F)F

Acid pKa

19.204987

H Acceptors

H Donor

LogD (pH = 5.5)

1.6146224

LogD (pH = 7.4)

1.6146224

Log P

1.6146224

Molar Refractivity

32.1726

Polarizability

12.197268

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

ethyl 4,4,4-trifluorobutanoate

Ethyl 4,4,4-trifluorobutyrateEthyl 4,4,4-trifluorobutyrate4,4,4-三氟丁酸乙酯4,4,4-Trifluorobutyric acid ethyl esterEthyl 4,4,4-trifluorobutyrate 98%Ethyl 4,4,4-trifluorobutanoate

ethyl 4,4,4-trifluorobutanoate

98%

≥98%

CF3CH2CH2CO2C2H5

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443700

Application
Applications include the preparation and study of 5,5-dimethyl-2-(trifluoromethyl)-1-pyrroline N-oxide, a new spin trap,1 and the synthesis of a series of novel benzylindolecarboxamides as leukotriene D4 and E4 antagonists.2
Packaging
5 g in glass bottle

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Names and Identifiers

IUPAC Traditional name

ethyl 4,4,4-trifluorobutanoate

Synonyms

Ethyl 4,4,4-trifluorobutyrateEthyl 4,4,4-trifluorobutyrate4,4,4-三氟丁酸乙酯4,4,4-Trifluorobutyric acid ethyl esterEthyl 4,4,4-trifluorobutyrate 98%Ethyl 4,4,4-trifluorobutanoate

IUPAC name

ethyl 4,4,4-trifluorobutanoate

Registration numbers

CAS Number

MDL Number

PubChem SID

Beilstein Number

PubChem CID