Basic information
- Standard SMILES
Cl.N#CCN1CC=C(c2cccc(C(F)(F)F)c2)CC1- InChIKey
ZRNHOHQZUVKNTR-UHFFFAOYSA-N- Molecular formula
- C14H14ClF3N2
- Average molar mass
- 302.72 g/mol
Names & identifiers
- Preferred name
- 4-(3-Trifluoromethylphenyl)-1-cyanomethyl-1,2,3,6-tetrahydropyridine hydrochloride
- IUPAC
- 2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]acetonitrile;hydrochloride
Names & synonyms
4-(3-trifluoromethylphenyl)-1-cyanomethyl-1,2,3,6-tetrahydropyridine hydrochlorideSCHEMBL10733515
Database identifiers
- PubChem CID
- 20187830
Properties
Computed structural properties
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
3 records
Compound notes
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