1-(3,4-difluorophenyl)cyclobutan-1-amine

• ChemBase ID: 800514
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: C1(CCC1)(N)c1cc(c(cc1)F)F
• Canonical SMILES: Fc1ccc(cc1F)C1(N)CCC1
• InChI: InChI=1S/C10H11F2N/c11-8-3-2-7(6-9(8)12)10(13)4-1-5-10/h2-3,6H,1,4-5,13H2
• InChIKey: BNXIGKIHQBLVMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-difluorophenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(3,4-difluorophenyl)cyclobutan-1-amine
• Synonyms: 1-(3,4-DIFLUOROPHENYL)CYCLOBUTANAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7794307
• LogD (pH = 7.4): 0.07157462
• Log P: 2.2183201
• Molar Refractivity: 46.666 cm^3
• Polarizability: 17.834408 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%