Basic information
- CAS
1260877-28-8- Standard SMILES
N#Cc1cc(F)ccc1N1CCCC(=O)C1- InChIKey
QVABJGXNASVMLW-UHFFFAOYSA-N- Molecular formula
- C12H11FN2O
- Average molar mass
- 218.23 g/mol
- Monoisotopic mass
- 218.08554114
Names & identifiers
- Preferred name
- 5-Fluoro-2-(3-oxopiperidin-1-yl)benzonitrile
- IUPAC
- 5-fluoro-2-(3-oxopiperidin-1-yl)benzonitrile
Names & synonyms
DTXSID801244750AKOS0175544125-Fluoro-2-(3-oxopiperidin-1-yl)benzonitrileBenzonitrile, 5-fluoro-2-(3-oxo-1-piperidinyl)-1260877-28-8
Database identifiers
- CAS
1260877-28-8- PubChem CID
- 79018751
- DTXSID
DTXSID801244750
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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