Basic information
- Standard SMILES
C#CC(=O)C(c1cccc(-c2ccc(F)cc2F)n1)c1c(F)cc(C#N)cc1F- InChIKey
IYINELONOBUMRW-UHFFFAOYSA-N- Molecular formula
- C22H10F4N2O
- Average molar mass
- 394.3 g/mol
Names & identifiers
- Preferred name
- 4-{1-[6-(2,4-Difluorophenyl)pyridin-2-yl]-2-oxobut-3-yn-1-yl}-3,5-difluorobenzonitrile
- IUPAC
- 4-[1-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-oxobut-3-ynyl]-3,5-difluorobenzonitrile
Names & synonyms
SCHEMBL1244651IYINELONOBUMRW-UHFFFAOYSA-N4-{1-[6-(2,4-difluorophenyl)pyridin-2-yl]-2-oxobut-3-yn-1-yl}-3,5-difluorobenzonitrile
Database identifiers
- PubChem CID
- 57700375
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 685
Related reactions
2 records
Compound notes
Loading…