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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H3F6N
Molecular Weight 239.1172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-BIS(TRIFLUOROMETHYL)BENZONITRILE

SMILES

FC(F)(F)C1=CC(=CC(=C1)C#N)C(F)(F)F

InChI

InChIKey=CZKHHAOIHXHOSR-UHFFFAOYSA-N
InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H

HIDE SMILES / InChI

Molecular Formula C9H3F6N
Molecular Weight 239.1172
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 12:44:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:24 GMT 2023
Record UNII
7B2P78CB3E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-BIS(TRIFLUOROMETHYL)BENZONITRILE
Systematic Name English
3,5-BIS(TRIFLUOROMETHYL)-1-CYANOBENZENE
Systematic Name English
NSC-88316
Code English
BENZONITRILE, 3,5-BIS(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
NSC
88316
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
PUBCHEM
96746
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-240-7
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
FDA UNII
7B2P78CB3E
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID80181588
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
CAS
27126-93-8
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY