(3-fluorocyclobutyl)methanamine

• ChemBase ID: 801270
• Molecular Formular: C5H10FN
• Molecular Mass: 103.1380032
• Monoisotopic Mass: 103.07972755
• SMILES: NCC1CC(C1)F
• Canonical SMILES: NCC1CC(C1)F
• InChI: InChI=1S/C5H10FN/c6-5-1-4(2-5)3-7/h4-5H,1-3,7H2
• InChIKey: NEDGZUPNRVBWQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluorocyclobutyl)methanamine
• IUPAC Traditional name: (3-fluorocyclobutyl)methanamine
• Synonyms: C-(3-FLUORO-CYCLOBUTYL)-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9201021
• LogD (pH = 7.4): -2.5054293
• Log P: 0.10406032
• Molar Refractivity: 26.4392 cm^3
• Polarizability: 10.442961 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%