Basic information
- Standard SMILES
FC(F)(F)c1cc(C2=CCN(Cc3ccccc3)CC2)ccc1Cl- InChIKey
NBUGNMFCCQXVTB-UHFFFAOYSA-N- Molecular formula
- C19H17ClF3N
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.1001617
Names & identifiers
- Preferred name
- 1-Benzyl-4-(4-chloro-3-trifluoromethyl-phenyl)-1,2,3,6-tetrahydro-pyridine
- IUPAC
- 1-benzyl-4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
Names & synonyms
1-Benzyl-4-(4-chloro-3-trifluoromethyl-phenyl)-1,2,3,6-tetrahydro-pyridineSCHEMBL2928444
Database identifiers
- PubChem CID
- 22345202
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
6 records
Compound notes
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