[2-(trifluoromethyl)quinolin-6-yl]methanamine

• ChemBase ID: 801738
• Molecular Formular: C11H9F3N2
• Molecular Mass: 226.1977696
• Monoisotopic Mass: 226.07178296
• SMILES: NCc1ccc2c(c1)ccc(n2)C(F)(F)F
• Canonical SMILES: NCc1ccc2c(c1)ccc(n2)C(F)(F)F
• InChI: InChI=1S/C11H9F3N2/c12-11(13,14)10-4-2-8-5-7(6-15)1-3-9(8)16-10/h1-5H,6,15H2
• InChIKey: MVGGGKABIRMRHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(trifluoromethyl)quinolin-6-yl]methanamine
• IUPAC Traditional name: [2-(trifluoromethyl)quinolin-6-yl]methanamine
• Synonyms: [2-(TRIFLUOROMETHYL)QUINOLIN-6-YL]METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.45908594
• LogD (pH = 7.4): 0.5422158
• Log P: 2.5203676
• Molar Refractivity: 54.0544 cm^3
• Polarizability: 21.26905 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%