Difluanine Hydrochloride
N-[2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl]aniline;trihydrochloride
Also Known As: Difluanine hydrochloride|Difluanine HCl|Difluanine trihydrochloride|McN-JR 7242-11|Difluanine hydrochloride [USAN]|MCN-JR-7242-11|Difluanine hydrochloride (USAN)|R 7242|R-7242|C28-H33-F2-N3 X 3(H-Cl)|1-(2-Anilinoethyl)-4-(4,4-bis(p-fluorophenyl)butyl)piperazine trihydrochloride|1-Piperazineethanamine, 4-(4,4-bis(4-fluorophenyl)butyl)-N-phenyl-, trihydrochloride|1-Piperazineethanamine, 4-[4,4-bis(4-fluorophenyl)butyl]-N-phenyl-, trihydrochloride|4-(4,4-Bis(4-fluorophenyl)butyl)-N-phenyl-1-Piperazineethanamine trihydrochloride|N-[2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl]aniline trihydrochloride|N-[2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl]aniline,trihydrochloride|Piperazine, 1-(2-anilinoethyl)-4-[4,4-bis(p-fluorophenyl)butyl]-, trihydrochloride|N-(2-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}ethyl)aniline--hydrogen chloride (1/3)
| Molecular Formula | C28H36Cl3F2N3 |
|---|---|
| Molecular Weight | 557.1943 g/mol |
| LogP | 6.872 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 557.1943 |
| Monoisotopic Mass | 557.1943 |
| Heavy Atoms | 36 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 6337-70-8 |
|---|---|
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCNC4=CC=CC=C4.Cl.Cl.Cl |
| InChIKey | PHAWDSYIEOZYEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Difluanine Hydrochloride (CAS 6337-70-8), with molecular formula C28H36Cl3F2N3 and molecular weight 557.1943 g/mol. IUPAC: N-[2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl]aniline;trihydrochloride.
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