Cas no 172217-02-6 (7-(Trifluoromethyl)-1H-indole)

7-(Trifluoromethyl)-1H-indole structure
7-(Trifluoromethyl)-1H-indole structure
Product Name:7-(Trifluoromethyl)-1H-indole
CAS No:172217-02-6
MF:C9H6F3N
MW:185.145852565765
MDL:MFCD09954769
CID:876709
PubChem ID:10419882
Update Time:2025-04-19

7-(Trifluoromethyl)-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 7-(Trifluoromethyl)-1H-indole
    • 7-(Trifluoromethyl)indole
    • 7-(Trifluoromethyl)
    • 1H-Indole, 7-(trifluoromethyl)-
    • 7-trifluoromethyl-1H-indole
    • VRAYAPZSEPNOTI-UHFFFAOYSA-N
    • VI30344
    • SY033205
    • AB0022815
    • W3750
    • ST24024465
    • Z2471262628
    • DB-064844
    • EN300-188856
    • DTXCID30390380
    • MFCD09954769
    • Z1198266436
    • AKOS006312264
    • SCHEMBL593971
    • DTXSID00439558
    • SB34232
    • DS-17672
    • F15639
    • CS-W005730
    • 172217-02-6
    • MDL： MFCD09954769
    • Inchi： 1S/C9H6F3N/c10-9(11,12)7-3-1-2-6-4-5-13-8(6)7/h1-5,13H
    • InChI Key： VRAYAPZSEPNOTI-UHFFFAOYSA-N
    • SMILES： FC(C1=CC=CC2C=CNC=21)(F)F

Computed Properties

  • Exact Mass: 185.04528
  • Monoisotopic Mass: 185.04523368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 15.8

Experimental Properties

  • Density: 1.367±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 256.7±35.0 oC (760 Torr),
  • Flash Point: 109.0±25.9 oC,
  • Solubility: Very slightly soluble (0.33 g/l) (25 o C),
  • PSA: 15.79

7-(Trifluoromethyl)-1H-indole Security Information

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