Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H9F3O3
Molecular Weight	246.1826
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

Structure Search

SMILES

COC(=O)CC(=O)CC1=C(F)C=C(F)C(F)=C1

InChI

InChIKey=XDQLWVSUKUDAEO-UHFFFAOYSA-N

InChI=1S/C11H9F3O3/c1-17-11(16)4-7(15)2-6-3-9(13)10(14)5-8(6)12/h3,5H,2,4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H9F3O3
Molecular Weight	246.1826
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:30:52 GMT 2025` Edited by `admin` on `Wed Apr 02 17:30:52 GMT 2025`
Record UNII	5ZX84X8RW5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

Systematic Name

English

3-Oxo-4-(2,4,5-trifluoro-phenyl)-butyric acid methyl ester

Preferred Name

English

Methyl 4-(2,4,5-trifluorophenyl)-3-oxobutanoate

Systematic Name

English

Methyl 2,4,5-trifluoro-?-oxobenzenebutanoate

Systematic Name

English

Benzenebutanoic acid, 2,4,5-trifluoro-?-oxo-, methyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20652348

Created by admin on Wed Apr 02 17:30:52 GMT 2025 , Edited by admin on Wed Apr 02 17:30:52 GMT 2025

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PUBCHEM

29942605

Created by admin on Wed Apr 02 17:30:52 GMT 2025 , Edited by admin on Wed Apr 02 17:30:52 GMT 2025

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CAS

769195-26-8

Created by admin on Wed Apr 02 17:30:52 GMT 2025 , Edited by admin on Wed Apr 02 17:30:52 GMT 2025

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FDA UNII

5ZX84X8RW5

Created by admin on Wed Apr 02 17:30:52 GMT 2025 , Edited by admin on Wed Apr 02 17:30:52 GMT 2025

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