Basic information
- Standard SMILES
O=c1c2ccccc2ccn1Cc1ccc(F)cc1- InChIKey
LBKCHCHTSRLQMS-UHFFFAOYSA-N- Molecular formula
- C16H12FNO
- Average molar mass
- 253.27 g/mol
Names & identifiers
- Preferred name
- 2-(4-fluorobenzyl)isoquinolin-1(2H)-one
- IUPAC
- 2-[(4-fluorophenyl)methyl]isoquinolin-1-one
Names & synonyms
SCHEMBL5183061LBKCHCHTSRLQMS-UHFFFAOYSA-NAKOS0165506122-(4-fluorobenzyl)isoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 9354445
- Nikkaji
- J3.586.958A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
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