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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H6F6O
Molecular Weight 256.1445
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHAN-1-ONE

SMILES

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

InChI

InChIKey=MCYCSIKSZLARBD-UHFFFAOYSA-N
InChI=1S/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHAN-1-ONE
Systematic Name English
1-(3,5-DI(TRIFLUOROMETHYL)PHENYL)ETHANONE
Preferred Name English
3,5-DI(TRIFLUOROMETHYL)ACETOPHENONE
Systematic Name English
3,5-BIS(TRIFLUOROMETHYL)ACETOPHENONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90184146
Created by admin on Tue Apr 01 18:12:44 GMT 2025 , Edited by admin on Tue Apr 01 18:12:44 GMT 2025
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CAS
30071-93-3
Created by admin on Tue Apr 01 18:12:44 GMT 2025 , Edited by admin on Tue Apr 01 18:12:44 GMT 2025
PRIMARY
FDA UNII
Q6HO7HB1FG
Created by admin on Tue Apr 01 18:12:44 GMT 2025 , Edited by admin on Tue Apr 01 18:12:44 GMT 2025
PRIMARY
PUBCHEM
121616
Created by admin on Tue Apr 01 18:12:44 GMT 2025 , Edited by admin on Tue Apr 01 18:12:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
250-023-7
Created by admin on Tue Apr 01 18:12:44 GMT 2025 , Edited by admin on Tue Apr 01 18:12:44 GMT 2025
PRIMARY