Metabolite (R)-Norfluoxetine
- Name
- (R)-Norfluoxetine
- Description
- Not Available
- Structure
Structure for (R)-Norfluoxetine
- Synonyms
- Not Available
- UNII
- 05UQ1299DN
- CAS number
- Not Available
- Weight
- Average: 295.305
Monoisotopic: 295.118398628 - Chemical Formula
- C16H16F3NO
- InChI Key
- WIQRCHMSJFFONW-OAHLLOKOSA-N
- InChI
- InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
- IUPAC Name
- (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
- SMILES
- [H]NC([H])([H])C([H])([H])[C@@]([H])(OC1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C1=C([H])C([H])=C([H])C([H])=C1[H]
- Reactions
- External Links
- ChemSpider
- 7973423
- BindingDB
- 50254791
- ChEMBL
- CHEMBL446084
- ZINC
- ZINC000001645453
- PDBe Ligand
- 408
- Predicted Properties
Property Value Source Water Solubility 0.00915 mg/mL ALOGPS logP 3.8 ALOGPS logP 3.74 ChemAxon logS -4.5 ALOGPS pKa (Strongest Basic) 9.77 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 35.25 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 75.59 m3·mol-1 ChemAxon Polarizability 28.13 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No ChemAxon