3-(Trifluoromethyl)benzonitrile (C8H4F3N)

Looking for routes to 3-(Trifluoromethyl)benzonitrile? 3-(Trifluoromethyl)benzonitrile presents a C8 framework, aromatic rings, basic nitrogen. Use the planner with prefilled SMILES, or copy N#Cc1cccc(C(F)(F)F)c1 (CAS 368-77-4).

Target: 3-(Trifluoromethyl)benzonitrile
CAS: 368-77-4
Formula: C8H4F3N
Approx. MW: 171.12
SMILES: N#Cc1cccc(C(F)(F)F)c1
PubChem CID: 67783
Approx. carbons: C8

3-(Trifluoromethyl)benzonitrile structure

Properties

Molecular weight: 171.12

View on PubChem

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

FAQ

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

3-(Trifluoromethyl)benzonitrile has molecular formula C8H4F3N. Molecular weight about 171.12 g·mol⁻¹.

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

The CAS Registry Number for 3-(Trifluoromethyl)benzonitrile is 368-77-4.

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

Start from this SMILES and explore AI retrosynthesis routes for C8H4F3N.

Related targets

Similar compounds

(Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 2-(2-Chlorophenyl)ethylamine 2-(Trifluoromethoxy)benzonitrile 2-(Trifluoromethyl)benzylamine 2-Chloro-5-(trifluoromethyl)benzonitrile

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.