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Molecule record

6-(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
2777523

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

  • 13544-43-9
  • 1H-Indole, 6-(trifluoro
  • 1H-Indole, 6-(trifluoromethyl)-
  • 6-(Trifluoromethyl)indole
  • 6-(Trifluoromethyl)indole, AldrichCPR
  • 6-trifluoromethyl indole
  • A821762
  • AC-9842
Show all 24 synonyms
  • AM20080831
  • DTXCID50331573
  • DTXSID10380547
  • EN300-246239
  • FS-1080
  • FT-0620831
  • MFCD00272316
  • RefChem:306982
  • SBB090260
  • SCHEMBL1090367
  • SCHEMBL29355842
  • SCHEMBL45243
  • SCHEMBL6954043
  • SCHEMBL700186
  • SY007780
  • Z1201620071

Structure identifiers

Canonical SMILES
FC(F)(F)c1ccc2cc[nH]c2c1
Isomeric SMILES
C1=CC(=CC2=C1C=CN2)C(F)(F)F
InChI
InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H
InChIKey
BPYBYPREOVLFED-UHFFFAOYSA-N
PubChem CID
2777523

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

Simulated EI mass spectrum

On-demand educational fragmentation for 6-(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