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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H10F6O
Molecular Weight 344.2511
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-Phenyl-4,4,4-trifluoro-3-trifluoromethylcrotonophenone

SMILES

FC(F)(F)C(=CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(F)(F)F

InChI

InChIKey=WWNXVJDVYCLEPP-UHFFFAOYSA-N
InChI=1S/C17H10F6O/c18-16(19,20)15(17(21,22)23)10-14(24)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H

HIDE SMILES / InChI

Molecular Formula C17H10F6O
Molecular Weight 344.2511
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 12:47:02 GMT 2023
Edited
by admin
on Sat Dec 16 12:47:02 GMT 2023
Record UNII
H452QLR958
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-Phenyl-4,4,4-trifluoro-3-trifluoromethylcrotonophenone
Systematic Name English
1-(4-Biphenylyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
Systematic Name English
Crotonophenone, 4'-phenyl-4,4,4-trifluoro-3-(trifluoromethyl)-
Systematic Name English
2-Buten-1-one, 1-[1,1′-biphenyl]-4-yl-4,4,4-trifluoro-3-(trifluoromethyl)-
Systematic Name English
1-[1,1′-Biphenyl]-4-yl-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
Systematic Name English
NSC-160255
Code English
Code System Code Type Description
CAS
35444-06-5
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
PRIMARY
FDA UNII
H452QLR958
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
PRIMARY
PUBCHEM
37143
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID30188941
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
PRIMARY
NSC
160255
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
PRIMARY