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Molecule record

3-(trifluoromethyl)-1H-indole

C9H6F3N

185.15 g/mol

Loading structure

Molecular properties

Formula
C9H6F3N
Molar mass
185.15 g·mol−1
Exact mass
185.0452 Da
6
PubChem CID
13152885

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H-Indole, 3-(trifluoromethyl)-
  • 3-Trifluoromethyl Indole
  • 3-trifluoromethylindole
  • 51310-55-5
  • AC-942
  • AKOS005256049
  • C75404
  • DB-000880
Show all 17 synonyms
  • DS-4254
  • DTXCID60473251
  • DTXSID10522445
  • F241951
  • MFCD09032290
  • RefChem:276049
  • SCHEMBL2789076
  • SCHEMBL7883670
  • SY361705

Structure identifiers

Canonical SMILES
FC(F)(F)c1c[nH]c2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)C(F)(F)F
InChI
InChI=1S/C9H6F3N/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8/h1-5,13H
InChIKey
CLSZROKTPWVQKB-UHFFFAOYSA-N
PubChem CID
13152885

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-(trifluoromethyl)-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-(trifluoromethyl)-1H-indole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record