4-Fluorophenylacetonitrile (C8H6FN)

4-Fluorophenylacetonitrile (C8H6FN; CAS 459-22-3) is a practical retrosynthesis target. 4-Fluorophenylacetonitrile presents a C8 framework, aromatic rings, basic nitrogen. Open AI route search in one click below.

Target: 4-Fluorophenylacetonitrile
CAS: 459-22-3
Formula: C8H6FN
Approx. MW: 135.14
SMILES: N#CCc1ccc(F)cc1
PubChem CID: 68016
Approx. carbons: C8

4-Fluorophenylacetonitrile structure

Properties

IUPAC name: 2-(4-fluorophenyl)acetonitrile
Common names: 4-Fluorophenylacetonitrile; 459-22-3; 4-Fluorobenzyl cyanide; p-Fluorobenzyl cyanide; Benzeneacetonitrile, 4-fluoro-; 4-Fluorobenzylcyanide; 4-Fluorobenzeneacetonitrile; p-Fluorophenylacetonitrile; Acetonitrile, (p-fluorophenyl)-; EINECS 207-286-8
Molecular weight: 135.14
Exact mass: 135.05
InChIKey: JHQBLYITVCBGTO-UHFFFAOYSA-N

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4-Fluorophenylacetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Fluorophenylacetonitrile?

4-Fluorophenylacetonitrile has molecular formula C8H6FN. Molecular weight about 135.14 g·mol⁻¹.

What is the CAS number of 4-Fluorophenylacetonitrile?

The CAS Registry Number for 4-Fluorophenylacetonitrile is 459-22-3.

Run AI retrosynthesis for 4-Fluorophenylacetonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H6FN.

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

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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.