U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10F6O3
Molecular Weight 316.1964
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Pentanone, 4-hydroxy-1-phenoxy-5,5,5-trifluoro-4-(trifluoromethyl)-

SMILES

OC(CC(=O)COC1=CC=CC=C1)(C(F)(F)F)C(F)(F)F

InChI

InChIKey=MHSNOMJSALEFCC-UHFFFAOYSA-N
InChI=1S/C12H10F6O3/c13-11(14,15)10(20,12(16,17)18)6-8(19)7-21-9-4-2-1-3-5-9/h1-5,20H,6-7H2

HIDE SMILES / InChI

Molecular Formula C12H10F6O3
Molecular Weight 316.1964
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 Sat Dec 16 12:37:33 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:33 GMT 2023
Record UNII
PS7TZS2RKL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Pentanone, 4-hydroxy-1-phenoxy-5,5,5-trifluoro-4-(trifluoromethyl)-
Systematic Name English
NSC-162211
Code English
2-Pentanone, 5,5,5-trifluoro-4-hydroxy-1-phenoxy-4-(trifluoromethyl)-
Systematic Name English
5,5,5-Trifluoro-4-hydroxy-1-phenoxy-4-(trifluoromethyl)-2-pentanone
Systematic Name English
Code System Code Type Description
NSC
162211
Created by admin on Sat Dec 16 12:37:33 GMT 2023 , Edited by admin on Sat Dec 16 12:37:33 GMT 2023
PRIMARY
FDA UNII
PS7TZS2RKL
Created by admin on Sat Dec 16 12:37:33 GMT 2023 , Edited by admin on Sat Dec 16 12:37:33 GMT 2023
PRIMARY
PUBCHEM
98722
Created by admin on Sat Dec 16 12:37:33 GMT 2023 , Edited by admin on Sat Dec 16 12:37:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID60188398
Created by admin on Sat Dec 16 12:37:33 GMT 2023 , Edited by admin on Sat Dec 16 12:37:33 GMT 2023
PRIMARY
CAS
34844-32-1
Created by admin on Sat Dec 16 12:37:33 GMT 2023 , Edited by admin on Sat Dec 16 12:37:33 GMT 2023
PRIMARY