3-fluoro-3-methylazetidine

• ChemBase ID: 284930
• Molecular Formular: C4H8FN
• Molecular Mass: 89.1114232
• Monoisotopic Mass: 89.06407748
• SMILES: N1CC(F)(C1)C
• Canonical SMILES: CC1(F)CNC1
• InChI: InChI=1S/C4H8FN/c1-4(5)2-6-3-4/h6H,2-3H2,1H3
• InChIKey: WFERYMPRVKKATO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-3-methylazetidine
• IUPAC Traditional name: 3-fluoro-3-methylazetidine
• Synonyms: 3-fluoro-3-methylazetidine

Database IDs

• MDL Number: MFCD21602473
• PubChem SID: 180670461
• PubChem CID: 71757906

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0008266
• LogD (pH = 7.4): -0.3083907
• Log P: 0.17693008
• Molar Refractivity: 21.633 cm^3
• Polarizability: 8.618561 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.629

Product Information

• Purity: 95%