2-(Trifluoromethoxy)benzonitrile (C8H4F3NO)

2-(Trifluoromethoxy)benzonitrile (C8H4F3NO; CAS 63968-85-4) is a practical retrosynthesis target. 2-(Trifluoromethoxy)benzonitrile presents a C8 framework, aromatic rings, basic nitrogen. Open AI route search in one click below.

Target: 2-(Trifluoromethoxy)benzonitrile
CAS: 63968-85-4
Formula: C8H4F3NO
Approx. MW: 187.12
SMILES: N#Cc1ccccc1OC(F)(F)F
PubChem CID: 2777232
Approx. carbons: C8

2-(Trifluoromethoxy)benzonitrile structure

Properties

Molecular weight: 187.12

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

FAQ

What is the chemical formula of 2-(Trifluoromethoxy)benzonitrile?

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

What is the CAS number of 2-(Trifluoromethoxy)benzonitrile?

The CAS Registry Number for 2-(Trifluoromethoxy)benzonitrile is 63968-85-4.

Run AI retrosynthesis for 2-(Trifluoromethoxy)benzonitrile Target catalog AI tools overview

One click loads 2-(Trifluoromethoxy)benzonitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

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

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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.