Metabolite Norfluoxetine alcohol
- Name
- Norfluoxetine alcohol
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 296.2843
Monoisotopic: 296.102414339 - Chemical Formula
- C16H15F3O2
- InChI Key
- WMLVVHKCLDWGLW-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H15F3O2/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2
- IUPAC Name
- 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
- SMILES
- OCCC(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]- 165.77477 predictedDeepCCS 1.0 (2019) [M+H]+ 168.13277 predictedDeepCCS 1.0 (2019) [M+Na]+ 174.22592 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0138 mg/mL ALOGPS logP 4.04 ALOGPS logP 3.85 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 15.88 Chemaxon pKa (Strongest Basic) -2.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.46 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 73.94 m3·mol-1 Chemaxon Polarizability 27.67 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