Basic information
- Standard SMILES
CC(C)(C#N)c1ccc(CCC2(C3CCCC3)CC(O)=CC(=O)O2)cc1F- InChIKey
JDQIODBZKFADLB-UHFFFAOYSA-N- Molecular formula
- C22H26FNO3
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 2-{4-[2-(2-cyclopentyl-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-2-fluorophenyl]-2-methylpropanenitrile
- IUPAC
- 2-[4-[2-(2-cyclopentyl-4-hydroxy-6-oxo-3H-pyran-2-yl)ethyl]-2-fluorophenyl]-2-methylpropanenitrile
Names & synonyms
2-{4-[2-(2-cyclopentyl-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-2-fluorophenyl]-2-methylpropanenitrile2-{4-[2-(2-cyclopentyl-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-2-fluorophenyl}-2-methylpropanenitrileSCHEMBL3993708JDQIODBZKFADLB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68868686
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 643
Related reactions
21 records
Compound notes
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