3-(2-fluoroethoxy)azetidine

• ChemBase ID: 45962
• Molecular Formular: C5H10FNO
• Molecular Mass: 119.1374032
• Monoisotopic Mass: 119.07464217
• SMILES: N1CC(C1)OCCF
• Canonical SMILES: FCCOC1CNC1
• InChI: InChI=1S/C5H10FNO/c6-1-2-8-5-3-7-4-5/h5,7H,1-4H2
• InChIKey: FDFQAIBXMIUANA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluoroethoxy)azetidine
• IUPAC Traditional name: 3-(2-fluoroethoxy)azetidine
• Synonyms: 3-(2-Fluoroethoxy)azetidine

Database IDs

• MDL Number: MFCD13559913
• PubChem SID: 162050725
• PubChem CID: 53409221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.105848
• LogD (pH = 7.4): -1.533436
• Log P: -0.15062208
• Molar Refractivity: 28.0383 cm^3
• Polarizability: 11.191235 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false