Basic information
- CAS
647825-32-9- Standard SMILES
CN(C)C=CC(=O)C=Cc1c(F)cccc1Cl- InChIKey
IBHIVQJKOJIYEH-UHFFFAOYSA-N- Molecular formula
- C13H13ClFNO
- Average molar mass
- 253.7 g/mol
- Monoisotopic mass
- 253.0669699
Names & identifiers
- Preferred name
- 1-(2-Chloro-6-fluorophenyl)-5-(dimethylamino)-1,4-pentadien-3-one
- IUPAC
- 1-(2-chloro-6-fluorophenyl)-5-(dimethylamino)penta-1,4-dien-3-one
Names & synonyms
1,4-Pentadien-3-one, 1-(2-chloro-6-fluorophenyl)-5-(dimethylamino)-DTXSID7011678801-(2-Chloro-6-fluorophenyl)-5-(dimethylamino)-1,4-pentadien-3-one
Database identifiers
- CAS
647825-32-9- PubChem CID
- 612656
- DTXSID
DTXSID701167880
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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