3-fluoroazetidine

• ChemBase ID: 69088
• Molecular Formular: C3H6FN
• Molecular Mass: 75.0848432
• Monoisotopic Mass: 75.04842742
• SMILES: N1CC(C1)F
• Canonical SMILES: FC1CNC1
• InChI: InChI=1S/C3H6FN/c4-3-1-5-2-3/h3,5H,1-2H2
• InChIKey: WQYAZBFZFIUIPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoroazetidine
• IUPAC Traditional name: 3-fluoroazetidine
• Synonyms: 3-Fluoroazethidine; 3-fluoroazetidine

Database IDs

• CAS Number: 690257-76-2
• MDL Number: MFCD09756543
• PubChem SID: 162034817
• PubChem CID: 3603542

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2663212
• LogD (pH = 7.4): -0.5778925
• Log P: -0.103646584
• Molar Refractivity: 16.9948 cm^3
• Polarizability: 6.8021655 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.11

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%