Basic information
- Standard SMILES
O=C1C(O)CC(c2cccc3c2OCCO3)N1Cc1ccc(OC(F)(F)F)cc1- InChIKey
XDKRISIFYVDHAI-UHFFFAOYSA-N- Molecular formula
- C20H18F3NO5
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.11370716
Names & identifiers
- Preferred name
- rac-(3R*,5S*)-5-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-3-hydroxy-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
- IUPAC
- 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
Names & synonyms
SCHEMBL4542601XDKRISIFYVDHAI-UHFFFAOYSA-Nrac-(3R*,5S*)-5-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-3-hydroxy-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
Database identifiers
- PubChem CID
- 69085698
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
1 records
Compound notes
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