HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chloro-3'-[1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl]-3-fluorobenzophenone
4-Chloro-3'-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]-3-fluorobenzophenone · Methanone, (4-chloro-3-fluorophenyl)[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]- · (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-chloro-3-fluorophenyl)methanone
![4-Chloro-3'-[1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl]-3-fluorobenzophenone molecular structure](/img/chemical/24724924.png)
Identifiers & Physical Properties
| CAS No. | 898761-95-0 |
|---|---|
| Molecular formula | C21H21ClFNO3 |
| Average molar mass | 389.8 g/mol |
| Monoisotopic mass | 389.1193994 g/mol |
| SMILES | O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(Cl)c(F)c1 |
| InChIKey | PEHZSZCYKXJYAC-UHFFFAOYSA-N |
| PubChem CID | 24724924 |
| DTXSID | DTXSID50643320 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 38.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 518 |
| Boiling point | 527.0±50.0 °C(Predicted) |
| Density | 1.34±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 8.68±0.20(Predicted) |