1-(4,5-dihydrofuran-3-yl)-2,2,2-trifluoroethan-1-amine

• ChemBase ID: 807147
• Molecular Formular: C6H8F3NO
• Molecular Mass: 167.1290296
• Monoisotopic Mass: 167.05579854
• SMILES: NC(C(F)(F)F)C1=COCC1
• Canonical SMILES: NC(C(F)(F)F)C1=COCC1
• InChI: InChI=1S/C6H8F3NO/c7-6(8,9)5(10)4-1-2-11-3-4/h3,5H,1-2,10H2
• InChIKey: WSWIATCXDLLGHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4,5-dihydrofuran-3-yl)-2,2,2-trifluoroethan-1-amine
• IUPAC Traditional name: 1-(4,5-dihydrofuran-3-yl)-2,2,2-trifluoroethanamine
• Synonyms: 1-(4,5-DIHYDRO-FURAN-3-YL)-2,2,2-TRIFLUORO-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3104256
• LogD (pH = 7.4): 0.4114447
• Log P: 0.4128976
• Molar Refractivity: 33.4811 cm^3
• Polarizability: 12.540966 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%