Basic information
- Standard SMILES
CC(N1CCC(CCCO)(c2ccc(F)cc2)OC1=O)C(C)(C)C- InChIKey
KQBMIQOIBPSQEN-UHFFFAOYSA-N- Molecular formula
- C19H28FNO3
- Average molar mass
- 337.4 g/mol
Names & identifiers
- Preferred name
- 3-(3,3-Dimethylbutan-2-yl)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
- IUPAC
- 3-(3,3-dimethylbutan-2-yl)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL2548554
Database identifiers
- PubChem CID
- 67448180
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
Related reactions
1 records
Compound notes
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