Basic information
- Standard SMILES
O=C(N1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1)C(F)(F)F- InChIKey
OEBPSWXKGQFJOP-VIFPVBQESA-N- Molecular formula
- C13H12ClF3N2O4
- Average molar mass
- 352.69 g/mol
Names & identifiers
- Preferred name
- (S)-1-(3-(5-chloro-2-nitrophenoxy)piperidin-1-yl)-2,2,2-trifluoroethanone
- IUPAC
- 1-[(3S)-3-(5-chloro-2-nitrophenoxy)piperidin-1-yl]-2,2,2-trifluoroethanone
Names & synonyms
(S)-1-(3-(5-chloro-2-nitrophenoxy)piperidin-1-yl)-2,2,2-trifluoroethanoneSCHEMBL2406318
Database identifiers
- PubChem CID
- 58413019
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Related reactions
1 records
Compound notes
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