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Molecule record

5-(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
2763075

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

  • 100846-24-0
  • 1H-Indole, 5-(trifluoromethyl)-
  • 5-(TRIFLUOROMETHYL)INDOLE
  • 5-(Trifluoromethyl)indole, 97%
  • 5-Trifluoromethyl
  • 5-trifluoromethyl indole
  • 634-474-0
  • A800281
Show all 24 synonyms
  • AKOS005254605
  • BBL100428
  • CS-W008231
  • DTXSID30376720
  • FS-3578
  • FT-0601320
  • J-000232
  • MFCD03095341
  • RefChem:531745
  • SB15232
  • SBB090257
  • SCHEMBL438997
  • SCHEMBL577522
  • SCHEMBL9289492
  • SCHEMBL9741577
  • Z445172364

Structure identifiers

Canonical SMILES
FC(F)(F)c1ccc2[nH]ccc2c1
Isomeric SMILES
C1=CC2=C(C=CN2)C=C1C(F)(F)F
InChI
InChI=1S/C9H6F3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
InChIKey
LCFDJWUYKUPBJM-UHFFFAOYSA-N
PubChem CID
2763075

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 5-(trifluoromethyl)-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-(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