6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine

• ChemBase ID: 803002
• Molecular Formular: C9H8F3NO2
• Molecular Mass: 219.1605296
• Monoisotopic Mass: 219.05071316
• SMILES: O1CC(c2ccc(cc12)OC(F)(F)F)N
• Canonical SMILES: NC1COc2c1ccc(c2)OC(F)(F)F
• InChI: InChI=1S/C9H8F3NO2/c10-9(11,12)15-5-1-2-6-7(13)4-14-8(6)3-5/h1-3,7H,4,13H2
• InChIKey: DLLOGGPSRBCEGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
• IUPAC Traditional name: 6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
• Synonyms: 6-(TRIFLUOROMETHOXY)-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5315053
• LogD (pH = 7.4): 0.98256004
• Log P: 2.2606966
• Molar Refractivity: 41.7661 cm^3
• Polarizability: 17.455803 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%