(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethan-1-amine

• ChemBase ID: 807036
• Molecular Formular: C13H12F3N
• Molecular Mass: 239.2362896
• Monoisotopic Mass: 239.09218405
• SMILES: N[C@@H](C(F)(F)F)c1c2ccccc2c(cc1)C
• Canonical SMILES: N[C@@H](C(F)(F)F)c1ccc(c2c1cccc2)C
• InChI: InChI=1S/C13H12F3N/c1-8-6-7-11(12(17)13(14,15)16)10-5-3-2-4-9(8)10/h2-7,12H,17H2,1H3/t12-/m1/s1
• InChIKey: SCDLZPHRUUBJKM-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethan-1-amine
• IUPAC Traditional name: (1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanamine
• Synonyms: (1R)-2,2,2-TRIFLUORO-1-(4-METHYLNAPHTHYL)ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5050192
• LogD (pH = 7.4): 3.6151738
• Log P: 3.6167758
• Molar Refractivity: 61.1431 cm^3
• Polarizability: 23.881796 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%