Basic information
- Standard SMILES
O=C(Oc1ccccc1)N1CCc2ccccc2C1c1ccc(C(F)(F)F)cc1- InChIKey
GHUIDOMUEUPYMP-UHFFFAOYSA-N- Molecular formula
- C23H18F3NO2
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- Phenyl 1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
- IUPAC
- phenyl 1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
Phenyl 1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxylateSCHEMBL3052751
Database identifiers
- PubChem CID
- 59536283
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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