Basic information
- CAS
560105-76-2- Standard SMILES
O=C(C=Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(F)cc2)CC1- InChIKey
XZKARAYTBLGMKD-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2FN2O
- Average molar mass
- 379.3 g/mol
Names & identifiers
- Preferred name
- 3-(2,6-Dichlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
- IUPAC
- 3-(2,6-dichlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
- English name
- 1-[3-(2,6-dichlorophenyl)acryloyl]-4-(4-fluorophenyl)piperazine
- Molecular formula
- C19H17Cl2FN2O
- Molecular weight
- 379.26
Names & synonyms
1-[3-(2,6-dichlorophenyl)acryloyl]-4-(4-fluorophenyl)piperazine
Database identifiers
- CAS
560105-76-2
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
- 464
Physicochemical properties
- Boiling point
- 574.781 · 574.781±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
- 2.892 · 2.892±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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