(1R)-2,2,2-trifluoro-1-(2-methoxyphenyl)ethan-1-amine

• ChemBase ID: 806901
• Molecular Formular: C9H10F3NO
• Molecular Mass: 205.1770096
• Monoisotopic Mass: 205.07144861
• SMILES: N[C@@H](C(F)(F)F)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1[C@H](C(F)(F)F)N
• InChI: InChI=1S/C9H10F3NO/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5,8H,13H2,1H3/t8-/m1/s1
• InChIKey: LMXVBSFRTBFWFN-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-2,2,2-trifluoro-1-(2-methoxyphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-2,2,2-trifluoro-1-(2-methoxyphenyl)ethanamine
• Synonyms: (1R)-2,2,2-TRIFLUORO-1-(2-METHOXYPHENYL)ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9239964
• LogD (pH = 7.4): 1.9557855
• Log P: 1.9562063
• Molar Refractivity: 46.1149 cm^3
• Polarizability: 17.36819 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%