Basic information
- Standard SMILES
CC1CNC(c2ccc(C(F)(F)F)cc2)c2ccccc21- InChIKey
MQPJINBFSROTIR-UHFFFAOYSA-N- Molecular formula
- C17H16F3N
- Average molar mass
- 291.31 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 4-methyl-1-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
Names & synonyms
4-Methyl-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinolineSCHEMBL3062528
Database identifiers
- PubChem CID
- 59536281
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
2 records
Compound notes
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