Basic information
- CAS
3974-57-0- Standard SMILES
FC(F)(F)c1nc2cccc3c2n1CCC3- InChIKey
RPNKJGLBTOMAPW-UHFFFAOYSA-N- Molecular formula
- C11H9F3N2
- Average molar mass
- 226.2 g/mol
- Monoisotopic mass
- 226.07178278
Names & identifiers
- Preferred name
- 2-(trifluoromethyl)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline
- IUPAC
- 2-(trifluoromethyl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
Names & synonyms
3974-57-0NSC165702DTXSID503044242-(trifluoromethyl)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinolineNSC-165702
Database identifiers
- CAS
3974-57-0- PubChem CID
- 295992
- DTXSID
DTXSID50304424
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…