4,4,4-Trifluoro-1-(3-pyridinyl)-1,3-butanedione

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6F3NO2
Molecular Weight	217.1446
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4,4-Trifluoro-1-(3-pyridinyl)-1,3-butanedione

Structure Search

SMILES

FC(F)(F)C(=O)CC(=O)C1=CN=CC=C1

InChI

InChIKey=MXVYPMBHALRMDU-UHFFFAOYSA-N

InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)4-7(14)6-2-1-3-13-5-6/h1-3,5H,4H2

HIDE SMILES / InChI

Molecular Formula	C9H6F3NO2
Molecular Weight	217.1446
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 `Tue Apr 01 19:45:21 GMT 2025` Edited by `admin` on `Tue Apr 01 19:45:21 GMT 2025`
Record UNII	V52H5E9E5U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,4,4-Trifluoro-1-(3-pyridinyl)-1,3-butanedione

Systematic Name

English

NSC-42763

Preferred Name

English

4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione

Systematic Name

English

1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-

Systematic Name

English

Code System Code Type Description

CAS

582-73-0

Created by admin on Tue Apr 01 19:45:21 GMT 2025 , Edited by admin on Tue Apr 01 19:45:21 GMT 2025

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EPA CompTox

DTXSID6060391

Created by admin on Tue Apr 01 19:45:21 GMT 2025 , Edited by admin on Tue Apr 01 19:45:21 GMT 2025

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NSC

42763

Created by admin on Tue Apr 01 19:45:21 GMT 2025 , Edited by admin on Tue Apr 01 19:45:21 GMT 2025

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PUBCHEM

68495

Created by admin on Tue Apr 01 19:45:21 GMT 2025 , Edited by admin on Tue Apr 01 19:45:21 GMT 2025

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FDA UNII

V52H5E9E5U

Created by admin on Tue Apr 01 19:45:21 GMT 2025 , Edited by admin on Tue Apr 01 19:45:21 GMT 2025

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