4-(Trifluoromethoxy)aniline (C7H6F3NO)

4-(Trifluoromethoxy)aniline presents a C7 framework, aromatic rings, halogen substitution (formula C7H6F3NO, CAS 461-82-5). ChemicalTool Reaction can propose ranked disconnections for 4-(Trifluoromethoxy)aniline from the SMILES Nc1ccc(OC(F)(F)F)cc1.

Target: 4-(Trifluoromethoxy)aniline
CAS: 461-82-5
Formula: C7H6F3NO
Approx. MW: 177.13
SMILES: Nc1ccc(OC(F)(F)F)cc1
PubChem CID: 600848
Approx. carbons: C7

4-(Trifluoromethoxy)aniline structure

Properties

IUPAC name: 4-(trifluoromethoxy)aniline
Common names: 4-(Trifluoromethoxy)aniline; 461-82-5; 4-trifluoromethoxyaniline; P40L42CVF6; DTXSID70196722; 4-TFMeA; RefChem:100561; DTXCID10119213; 207-317-5; Benzenamine, 4-(trifluoromethoxy)-
Molecular weight: 177.12
Exact mass: 177.04
InChIKey: XUJFOSLZQITUOI-UHFFFAOYSA-N

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4-(Trifluoromethoxy)aniline 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-(Trifluoromethoxy)aniline?

4-(Trifluoromethoxy)aniline has molecular formula C7H6F3NO. Molecular weight about 177.13 g·mol⁻¹.

What is the CAS number of 4-(Trifluoromethoxy)aniline?

The CAS Registry Number for 4-(Trifluoromethoxy)aniline is 461-82-5.

Run AI retrosynthesis for 4-(Trifluoromethoxy)aniline Target catalog AI tools overview

Open the planner with 4-(Trifluoromethoxy)aniline preloaded, then keep routes that match CAS 461-82-5.

Related targets

Similar compounds

(Trifluoromethoxy)benzene 1-(Dichloromethyl)-4-fluorobenzene 1-Chloro-4-(trifluoromethoxy)benzene 1-Iodo-4-(trifluoromethoxy)benzene 3-Chlorobenzyl chloride 4-(Trifluoromethyl)phenol

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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.