[2-(fluoromethyl)cyclobutyl]methanamine

• ChemBase ID: 240170
• Molecular Formular: C6H12FN
• Molecular Mass: 117.1645832
• Monoisotopic Mass: 117.09537761
• SMILES: C1CC(C1CN)CF
• Canonical SMILES: NCC1CCC1CF
• InChI: InChI=1S/C6H12FN/c7-3-5-1-2-6(5)4-8/h5-6H,1-4,8H2
• InChIKey: XSNOQHJFYRWETK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(fluoromethyl)cyclobutyl]methanamine
• IUPAC Traditional name: [2-(fluoromethyl)cyclobutyl]methanamine
• Synonyms: [2-(fluoromethyl)cyclobutyl]methanamine

Database IDs

• MDL Number: MFCD22392080
• PubChem SID: 164296080
• PubChem CID: 71756483

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6049917
• LogD (pH = 7.4): -2.1874454
• Log P: 0.41907305
• Molar Refractivity: 31.17 cm^3
• Polarizability: 12.273121 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.66

Product Information

• Purity: 95%