4-(2-OXO-2-(3-(TRIFLUOROMETHYL)PHENYL)ETHYL)BENZONITRILE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H10F3NO
Molecular Weight	289.2519
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(2-OXO-2-(3-(TRIFLUOROMETHYL)PHENYL)ETHYL)BENZONITRILE

Structure Search

SMILES

FC(F)(F)C1=CC=CC(=C1)C(=O)CC2=CC=C(C=C2)C#N

InChI

InChIKey=CMHGFDOROXXOOB-UHFFFAOYSA-N

InChI=1S/C16H10F3NO/c17-16(18,19)14-3-1-2-13(9-14)15(21)8-11-4-6-12(10-20)7-5-11/h1-7,9H,8H2

HIDE SMILES / InChI

Molecular Formula	C16H10F3NO
Molecular Weight	289.2519
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:01:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:01:20 GMT 2025`
Record UNII	4Q5B81528Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZONITRILE, 4-(2-OXO-2-(3-(TRIFLUOROMETHYL)PHENYL)ETHYL)-

Preferred Name

English

4-(2-OXO-2-(3-(TRIFLUOROMETHYL)PHENYL)ETHYL)BENZONITRILE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

681251

Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025

Code System Code Type Description

CAS

146653-56-7

Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025

PRIMARY

EPA CompTox

DTXSID3044835

Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025

PRIMARY

PUBCHEM

11437710

Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025

PRIMARY

FDA UNII

4Q5B81528Y

Created by admin on Mon Mar 31 22:01:20 GMT 2025 , Edited by admin on Mon Mar 31 22:01:20 GMT 2025

PRIMARY