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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-(3-methylphenyl)-1,3-butanedione

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione
Systematic Name English
1,1,1-Trifluoro-4-(3′-methylphenyl)butane-2,4-dione
Systematic Name English
1,3-Butanedione, 4,4,4-trifluoro-1-(3-methylphenyl)-
Systematic Name English
Code System Code Type Description
CAS
53764-99-1
Created by admin on Sat Dec 16 19:21:05 GMT 2023 , Edited by admin on Sat Dec 16 19:21:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID10595230
Created by admin on Sat Dec 16 19:21:05 GMT 2023 , Edited by admin on Sat Dec 16 19:21:05 GMT 2023
PRIMARY
FDA UNII
7QCX472V3H
Created by admin on Sat Dec 16 19:21:05 GMT 2023 , Edited by admin on Sat Dec 16 19:21:05 GMT 2023
PRIMARY
PUBCHEM
18624099
Created by admin on Sat Dec 16 19:21:05 GMT 2023 , Edited by admin on Sat Dec 16 19:21:05 GMT 2023
PRIMARY
NIH
NCATS
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