CT
ChemicalTool Reaction
Retrosynthesis · AI + evidence

3-(Trifluoromethoxy)benzonitrile (C8H4F3NO)

3-(Trifluoromethoxy)benzonitrile presents a C8 framework, aromatic rings, basic nitrogen (formula C8H4F3NO, CAS 52771-22-9). ChemicalTool Reaction can propose ranked disconnections for 3-(Trifluoromethoxy)benzonitrile from the SMILES N#Cc1cccc(OC(F)(F)F)c1.

Target
3-(Trifluoromethoxy)benzonitrile
CAS
52771-22-9
Formula
C8H4F3NO
Approx. MW
187.12
SMILES
N#Cc1cccc(OC(F)(F)F)c1
PubChem CID
142962
Approx. carbons
C8

3-(Trifluoromethoxy)benzonitrile structure

Properties

IUPAC name
3-(trifluoromethoxy)benzonitrile
Common names
3-(Trifluoromethoxy)benzonitrile; 52771-22-9; DCZAPXGEZYVQNX-UHFFFAOYSA-; DTXSID30200753; RefChem:92744; DTXCID60123244; 642-858-4; DCZAPXGEZYVQNX-UHFFFAOYSA-N; InChI=1/C8H4F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H; m-trifluoromethoxybenzonitrile
Molecular weight
187.12
Exact mass
187.02
InChIKey
DCZAPXGEZYVQNX-UHFFFAOYSA-N

View on PubChem

3-(Trifluoromethoxy)benzonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(Trifluoromethoxy)benzonitrile?

3-(Trifluoromethoxy)benzonitrile has molecular formula C8H4F3NO. Molecular weight about 187.12 g·mol⁻¹.

What is the CAS number of 3-(Trifluoromethoxy)benzonitrile?

The CAS Registry Number for 3-(Trifluoromethoxy)benzonitrile is 52771-22-9.

Run AI retrosynthesis for 3-(Trifluoromethoxy)benzonitrile Target catalog AI tools overview

One click loads 3-(Trifluoromethoxy)benzonitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

2-(Trifluoromethoxy)benzonitrile(Pentafluorophenyl)acetonitrile1-(4-Fluorophenyl)ethylamine2-(2-Chlorophenyl)ethylamine2-(Trifluoromethyl)benzylamine2-Chloro-5-(trifluoromethyl)benzonitrile

Browse the full target catalog

References & tools