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Details

Stereochemistry ACHIRAL
Molecular Formula C8H11F3O2
Molecular Weight 196.1669
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1,1-Trifluoro-6-methyl-2,4-heptanedione

SMILES

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

InChI

InChIKey=XWBVTGFPQXBNOZ-UHFFFAOYSA-N
InChI=1S/C8H11F3O2/c1-5(2)3-6(12)4-7(13)8(9,10)11/h5H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H11F3O2
Molecular Weight 196.1669
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 17:47:58 GMT 2025
Edited
by admin
on Tue Apr 01 17:47:58 GMT 2025
Record UNII
EW3PKX326U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-42614
Preferred Name English
1,1,1-Trifluoro-6-methyl-2,4-heptanedione
Systematic Name English
2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-
Systematic Name English
2-Hepten-4-one, 1,1,1-trifluoro-2-hydroxy-6-methyl-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
207-319-6
Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025
PRIMARY
FDA UNII
EW3PKX326U
Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025
PRIMARY
CAS
461-92-7
Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025
PRIMARY
PUBCHEM
68038
Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID7060043
Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025
PRIMARY
CAS
74179-86-5
Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025
ALTERNATIVE
NSC
42614
Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025
PRIMARY
CAS
62772-97-8
Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025
ALTERNATIVE