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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4F3NO
Molecular Weight 187.1187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(TRIFLUOROMETHOXY)BENZONITRILE

SMILES

FC(F)(F)OC1=C(C=CC=C1)C#N

InChI

InChIKey=ACNBBQGAWMHXLA-UHFFFAOYSA-N
InChI=1S/C8H4F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H

HIDE SMILES / InChI

Molecular Formula C8H4F3NO
Molecular Weight 187.1187
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 12:26:11 GMT 2023
Edited
by admin
on Sat Dec 16 12:26:11 GMT 2023
Record UNII
ZTZ6VCH4SH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(TRIFLUOROMETHOXY)BENZONITRILE
Systematic Name English
2-TRIFLUOROMETHOXYBENZONITRILE
Systematic Name English
BENZONITRILE, O-(TRIFLUOROMETHOXY)-
Systematic Name English
O-TRIFLUOROMETHOXYBENZONITRILE
Systematic Name English
O-(TRIFLUOROMETHOXY)BENZONITRILE
Systematic Name English
BENZONITRILE, 2-(TRIFLUOROMETHOXY)-
Systematic Name English
Code System Code Type Description
CAS
63968-85-4
Created by admin on Sat Dec 16 12:26:11 GMT 2023 , Edited by admin on Sat Dec 16 12:26:11 GMT 2023
PRIMARY
FDA UNII
ZTZ6VCH4SH
Created by admin on Sat Dec 16 12:26:11 GMT 2023 , Edited by admin on Sat Dec 16 12:26:11 GMT 2023
PRIMARY
PUBCHEM
2777232
Created by admin on Sat Dec 16 12:26:11 GMT 2023 , Edited by admin on Sat Dec 16 12:26:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID70213807
Created by admin on Sat Dec 16 12:26:11 GMT 2023 , Edited by admin on Sat Dec 16 12:26:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
264-584-0
Created by admin on Sat Dec 16 12:26:11 GMT 2023 , Edited by admin on Sat Dec 16 12:26:11 GMT 2023
PRIMARY