[2-(difluoromethyl)cyclobutyl]methanamine

• ChemBase ID: 240173
• Molecular Formular: C6H11F2N
• Molecular Mass: 135.1550464
• Monoisotopic Mass: 135.0859558
• SMILES: C1(CCC1CN)C(F)F
• Canonical SMILES: NCC1CCC1C(F)F
• InChI: InChI=1S/C6H11F2N/c7-6(8)5-2-1-4(5)3-9/h4-6H,1-3,9H2
• InChIKey: CEQDXDODAJPJOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392081
• PubChem SID: 164296083
• PubChem CID: 71756484

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.453926
• LogD (pH = 7.4): -2.0343313
• Log P: 0.5700683
• Molar Refractivity: 31.1854 cm^3
• Polarizability: 12.086228 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.533

Product Information

• Purity: 95%