3,3,3-trifluoro-2-(quinolin-8-yloxy)propan-1-amine

• ChemBase ID: 808847
• Molecular Formular: C12H11F3N2O
• Molecular Mass: 256.2237496
• Monoisotopic Mass: 256.08234764
• SMILES: NCC(C(F)(F)F)Oc1cccc2c1nccc2
• Canonical SMILES: NCC(C(F)(F)F)Oc1cccc2c1nccc2
• InChI: InChI=1S/C12H11F3N2O/c13-12(14,15)10(7-16)18-9-5-1-3-8-4-2-6-17-11(8)9/h1-6,10H,7,16H2
• InChIKey: FIHZQULBGADXDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,3-trifluoro-2-(quinolin-8-yloxy)propan-1-amine
• IUPAC Traditional name: 3,3,3-trifluoro-2-(quinolin-8-yloxy)propan-1-amine
• Synonyms: 3,3,3-TRIFLUORO-2-(QUINOLIN-8-YLOXY)-PROPYLAMINE

CALCULATED PROPERTIES

• Acid pKa: 18.86734
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7246575
• LogD (pH = 7.4): 0.56120485
• Log P: 2.1911087
• Molar Refractivity: 59.5126 cm^3
• Polarizability: 23.843126 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%