Metabolite Norfluoxetine
- Name
- Norfluoxetine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- K8D70XE2F4
- CAS number
- Not Available
- Weight
- Average: 295.2995
Monoisotopic: 295.118398754 - Chemical Formula
- C16H16F3NO
- InChI Key
- WIQRCHMSJFFONW-UHFFFAOYSA-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
- IUPAC Name
- 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
- SMILES
- NCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
- Reactions
- Fluoxetine Norfluoxetine
- Norfluoxetine Norfluoxetine glucuronide
- Norfluoxetine Norfluoxetine alcohol
- Norfluoxetine alcohol Norfluoxetine acid
- Norfluoxetine 4-Trifluoromethylphenol
- 4-Trifluoromethylphenol Hippuric acid
- Fluoxetine Norfluoxetine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 165.9628123 predictedDarkChem Lite v0.1.0 [M-H]- 167.16911 predictedDeepCCS 1.0 (2019) [M+H]+ 166.0408123 predictedDarkChem Lite v0.1.0 [M+H]+ 169.52711 predictedDeepCCS 1.0 (2019) [M+Na]+ 166.1877123 predictedDarkChem Lite v0.1.0 [M+Na]+ 175.62025 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060551
- ChemSpider
- 4382
- BindingDB
- 50180661
- ChEBI
- 180876
- ChEMBL
- CHEMBL1494
- Wikipedia
- Seproxetine
- 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