Basic information
- Standard SMILES
CNC(C)=C(C#N)C(=O)c1ccc(F)cc1- InChIKey
ZBCGCNLWCJUADV-UHFFFAOYSA-N- Molecular formula
- C12H11FN2O
- Average molar mass
- 218.23 g/mol
- Monoisotopic mass
- 218.08554114
Names & identifiers
- Preferred name
- 2-(4-Fluorobenzoyl)-3-(methylamino)but-2-enenitrile
- IUPAC
- 2-(4-fluorobenzoyl)-3-(methylamino)but-2-enenitrile
Names & synonyms
SCHEMBL11168632
Database identifiers
- PubChem CID
- 70529696
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Related reactions
1 records
Compound notes
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