Basic information
- Standard SMILES
CCCCNC(C)=C(C#N)C(=O)c1ccc(F)cc1- InChIKey
SUKOTCSOTHTRJS-UHFFFAOYSA-N- Molecular formula
- C15H17FN2O
- Average molar mass
- 260.31 g/mol
- Monoisotopic mass
- 260.13249133
Names & identifiers
- Preferred name
- 3-(Butylamino)-2-(4-fluorobenzoyl)but-2-enenitrile
- IUPAC
- 3-(butylamino)-2-(4-fluorobenzoyl)but-2-enenitrile
Names & synonyms
SCHEMBL11171671
Database identifiers
- PubChem CID
- 70530261
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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