Basic information
- CAS
546098-49-1- Standard SMILES
O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1- InChIKey
NARSCKSQYGTDRL-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2FN2O
- Average molar mass
- 379.3 g/mol
- Monoisotopic mass
- 378.0701967
Names & identifiers
- Preferred name
- 3-(3,4-Dichlorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
- IUPAC
- 3-(3,4-dichlorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
- English name
- 1-[3-(3,4-dichlorophenyl)acryloyl]-4-(2-fluorophenyl)piperazine
- Molecular formula
- C19H17Cl2FN2O
- Molecular weight
- 379.26
Names & synonyms
1-[3-(3,4-dichlorophenyl)acryloyl]-4-(2-fluorophenyl)piperazine
Database identifiers
- CAS
546098-49-1- PubChem CID
- 1001705
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 566.125 · 566.125±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.399 · 1.399±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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