Basic information
- Standard SMILES
COc1ccccc1C1(F)CCC(c2ccccc2)(c2ccccc2)C2CNCC21- InChIKey
AMNTZRAADSHKIR-UHFFFAOYSA-N- Molecular formula
- C27H28FNO
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- 4-fluoro-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole
- IUPAC
- 4-fluoro-4-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindole
Database identifiers
- PubChem CID
- 18994331
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 551
Related reactions
1 records
Compound notes
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