Basic information
- CAS
63990-53-4- Standard SMILES
CC(=O)c1ccccc1OCC(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
DWTDGCXSUCRGEH-UHFFFAOYSA-N- Molecular formula
- C22H25F3N2O3
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.18172715
Names & identifiers
- Preferred name
- Acetophenone, 2'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-
- IUPAC
- 1-[2-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone
- English name
- 2'-[2-Hydroxy-3-[4-(α,α,α-trifluoro-m-tolyl)piperazino]propoxy]acetophenone
- Molecular formula
- C22H25F3N2O3
- Molecular weight
- 422.4407096
Names & synonyms
63990-53-4Acetophenone, 2'-((2-hydroxy-3-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazinyl))propoxy)-RefChem:10758951-[2-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone2'-[2-Hydroxy-3-[4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazino]propoxy]acetophenoneBRN 0858382NSC147843DTXSID901384432AKOS002762771NSC 147843NSC-147843Ethanone, 1-[2-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]phenyl]-
Show more names
2'-[2-Hydroxy-3-[4-(α,α,α-trifluoro-m-tolyl)piperazino]propoxy]acetophenone
DB-292491
Database identifiers
- CAS
63990-53-4
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…