(1R)-2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethan-1-amine

• ChemBase ID: 807043
• Molecular Formular: C13H12F3NO
• Molecular Mass: 255.2356896
• Monoisotopic Mass: 255.08709867
• SMILES: N[C@@H](C(F)(F)F)c1ccc2c(ccc(c2)OC)c1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)[C@H](C(F)(F)F)N
• InChI: InChI=1S/C13H12F3NO/c1-18-11-5-4-8-6-10(3-2-9(8)7-11)12(17)13(14,15)16/h2-7,12H,17H2,1H3/t12-/m1/s1
• InChIKey: WJOFSUIADCAOJT-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethan-1-amine
• IUPAC Traditional name: (1R)-2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanamine
• Synonyms: (1R)-2,2,2-TRIFLUORO-1-(6-METHOXY(2-NAPHTHYL))ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8669229
• LogD (pH = 7.4): 2.944597
• Log P: 2.945683
• Molar Refractivity: 62.5651 cm^3
• Polarizability: 24.668938 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%