Ethyl (trifluoroacetyl)acetate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H7F3O3
Molecular Weight	184.1132
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (trifluoroacetyl)acetate

Structure Search

SMILES

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

InChI

InChIKey=OCJKUQIPRNZDTK-UHFFFAOYSA-N

InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H7F3O3
Molecular Weight	184.1132
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 `Mon Mar 31 23:39:10 GMT 2025` Edited by `admin` on `Mon Mar 31 23:39:10 GMT 2025`
Record UNII	KM9XB46R5T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-42739

Preferred Name

English

Ethyl (trifluoroacetyl)acetate

Systematic Name

English

AI3-52657

Code

English

Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester

Systematic Name

English

Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester

Systematic Name

English

Ethyl 4,4,4-trifluoroacetoacetate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

206-750-7

Created by admin on Mon Mar 31 23:39:10 GMT 2025 , Edited by admin on Mon Mar 31 23:39:10 GMT 2025

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CAS

372-31-6

Created by admin on Mon Mar 31 23:39:10 GMT 2025 , Edited by admin on Mon Mar 31 23:39:10 GMT 2025

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PUBCHEM

67793

Created by admin on Mon Mar 31 23:39:10 GMT 2025 , Edited by admin on Mon Mar 31 23:39:10 GMT 2025

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EPA CompTox

DTXSID5059905

Created by admin on Mon Mar 31 23:39:10 GMT 2025 , Edited by admin on Mon Mar 31 23:39:10 GMT 2025

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NSC

42739

Created by admin on Mon Mar 31 23:39:10 GMT 2025 , Edited by admin on Mon Mar 31 23:39:10 GMT 2025

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FDA UNII

KM9XB46R5T

Created by admin on Mon Mar 31 23:39:10 GMT 2025 , Edited by admin on Mon Mar 31 23:39:10 GMT 2025

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