Basic information
- Standard SMILES
O=C1c2cc(C(F)(F)F)ccc2CCN1c1cncc2ccccc12- InChIKey
CBVWKRQTHAPCNI-UHFFFAOYSA-N- Molecular formula
- C19H13F3N2O
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.09799753
Names & identifiers
- Preferred name
- 7-Trifluoromethyl-3,4-dihydro-[2,4']biisoquinolinyl-1-one
- IUPAC
- 2-isoquinolin-4-yl-7-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
Names & synonyms
7-Trifluoromethyl-3,4-dihydro-[2,4']biisoquinolinyl-1-oneSCHEMBL798056
Database identifiers
- PubChem CID
- 56942889
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 509
Related reactions
1 records
Compound notes
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