Basic information
- Standard SMILES
COc1ccc2c(c1)CCN=C2C1CCN(C(=O)C(F)(F)F)CC1- InChIKey
UXRIFMAQWWQEAR-UHFFFAOYSA-N- Molecular formula
- C17H19F3N2O2
- Average molar mass
- 340.34 g/mol
- Monoisotopic mass
- 340.13986234
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-[4-(6-methoxy-3,4-dihydro-isoquinolin-1-yl)-piperidin-1-yl]-ethanone
- IUPAC
- 2,2,2-trifluoro-1-[4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]ethanone
Names & synonyms
2,2,2-Trifluoro-1-[4-(6-methoxy-3,4-dihydro-isoquinolin-1-yl)-piperidin-1-yl]-ethanoneSCHEMBL6713623
Database identifiers
- PubChem CID
- 18172393
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
3 records
Compound notes
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