3-(4-fluorophenoxy)azetidine

• ChemBase ID: 46043
• Molecular Formular: C9H10FNO
• Molecular Mass: 167.1802032
• Monoisotopic Mass: 167.07464217
• SMILES: N1CC(Oc2ccc(F)cc2)C1
• Canonical SMILES: Fc1ccc(cc1)OC1CNC1
• InChI: InChI=1S/C9H10FNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
• InChIKey: ZDIPYYPSOHMOMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenoxy)azetidine
• IUPAC Traditional name: 3-(4-fluorophenoxy)azetidine
• Synonyms: 3-(4-Fluorophenoxy)azetidine

Database IDs

• CAS Number: 702628-84-0
• MDL Number: MFCD09861914
• PubChem SID: 162050806
• PubChem CID: 21428730

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3721083
• LogD (pH = 7.4): 0.2758849
• Log P: 1.4821151
• Molar Refractivity: 43.1632 cm^3
• Polarizability: 16.993801 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false