8-Trifluoromethyl-1-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Basic information
- Standard SMILES
CCC1CNCCc2ccc(C(F)(F)F)cc21- InChIKey
VDDJHHQYKKCCIO-UHFFFAOYSA-N- Molecular formula
- C13H16F3N
- Average molar mass
- 243.27 g/mol
Names & identifiers
- Preferred name
- 8-Trifluoromethyl-1-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 5-ethyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
Names & synonyms
8-Trifluoromethyl-1-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepineSCHEMBL1094508
Database identifiers
- PubChem CID
- 10243496
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
10 records
Compound notes
Loading…