RG0

1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

Created: 2022-11-30
Last modified:  2022-12-14

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of RG0

Chemical Component Summary

Name1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
Systematic Name (OpenEye OEToolkits)1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
FormulaC11 H9 Cl F3 N O
Molecular Weight263.643
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0CC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl
Canonical SMILESCACTVS3.385 CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl
InChIInChI1.06 InChI=1S/C11H9ClF3NO/c1-6(17)16-5-4-7-9(16)3-2-8(12)10(7)11(13,14)15/h2-3H,4-5H2,1H3
InChIKeyInChI1.06 OCTQANMBVHBRLQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 166001318