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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9F3O2
Molecular Weight 230.1832
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4,4-Trifluoro-1-(2-methylphenyl)-1,3-butanedione

SMILES

CC1=CC=CC=C1C(=O)CC(=O)C(F)(F)F

InChI

InChIKey=NSWJGKUEKYWEEF-UHFFFAOYSA-N
InChI=1S/C11H9F3O2/c1-7-4-2-3-5-8(7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4,4,4-Trifluoro-1-(2-methylphenyl)-1,3-butanedione
Systematic Name English
1,3-Butanedione, 4,4,4-trifluoro-1-(2-methylphenyl)-
Preferred Name English
1-(2-Methylbenzoyl)-3,3,3-trifluoroacetone
Systematic Name English
Code System Code Type Description
CAS
163266-02-2
Created by admin on Wed Apr 02 14:24:30 GMT 2025 , Edited by admin on Wed Apr 02 14:24:30 GMT 2025
PRIMARY
PUBCHEM
15772021
Created by admin on Wed Apr 02 14:24:30 GMT 2025 , Edited by admin on Wed Apr 02 14:24:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID50578163
Created by admin on Wed Apr 02 14:24:30 GMT 2025 , Edited by admin on Wed Apr 02 14:24:30 GMT 2025
PRIMARY
FDA UNII
2NF8US8FRC
Created by admin on Wed Apr 02 14:24:30 GMT 2025 , Edited by admin on Wed Apr 02 14:24:30 GMT 2025
PRIMARY
NIH
NCATS
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