[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine

• ChemBase ID: 811763
• Molecular Formular: C15H20FNO2
• Molecular Mass: 265.3232032
• Monoisotopic Mass: 265.14780711
• SMILES: C(N)C1(CCC2(OCCO2)CC1)c1ccc(cc1)F
• Canonical SMILES: NCC1(CCC2(CC1)OCCO2)c1ccc(cc1)F
• InChI: InChI=1S/C15H20FNO2/c16-13-3-1-12(2-4-13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4H,5-11,17H2
• InChIKey: XKVYRQNEOUBVQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine
• IUPAC Traditional name: [8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine
• Synonyms: 1-[8-(4-FLUOROPHENYL)-1,4-DIOXASPIRO[4.5]DEC-8-YL]METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7623231
• LogD (pH = 7.4): 0.18728854
• Log P: 2.2242537
• Molar Refractivity: 71.2643 cm^3
• Polarizability: 27.94079 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%