Basic information
- CAS
5522-33-8- Standard SMILES
Cl.Cl.Cl.Fc1ccc(C(CCCN2CCN(CCNc3ccccc3)CC2)c2ccc(F)cc2)cc1- InChIKey
PHAWDSYIEOZYEI-UHFFFAOYSA-N- Molecular formula
- C28H36Cl3F2N3
- Average molar mass
- 559 g/mol
- Monoisotopic mass
- 557.194288
Names & identifiers
- Preferred name
- Difluanine Hydrochloride
- IUPAC
- N-[2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl]aniline;trihydrochloride
Names & synonyms
Difluanine hydrochlorideDifluanine HCl5522-33-8Difluanine trihydrochlorideMcN-JR 7242-11Difluanine hydrochloride [USAN]MCN-JR-7242-11R 7242UNII-29B946G2CZ29B946G2CZDifluanine hydrochloride (USAN)DTXSID50203726
Show more names
R-72421-(2-Anilinoethyl)-4-(4,4-bis(p-fluorophenyl)butyl)piperazine trihydrochloride1-Piperazineethanamine, 4-(4,4-bis(4-fluorophenyl)butyl)-N-phenyl-, trihydrochlorideRefChem:133574DTXCID80126217SCHEMBL124263CHEMBL3989713D03811
Database identifiers
- CAS
5522-33-8- PubChem CID
- 168917
- DTXSID
DTXSID50203726- ChEMBL
CHEMBL3989713- UNII
- 29B946G2CZ
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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