(1R)-2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethan-1-amine

• ChemBase ID: 806891
• Molecular Formular: C11H14F3N
• Molecular Mass: 217.2307696
• Monoisotopic Mass: 217.10783411
• SMILES: N[C@@H](C(F)(F)F)c1c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)[C@H](C(F)(F)F)N
• InChI: InChI=1S/C11H14F3N/c1-6-4-7(2)9(8(3)5-6)10(15)11(12,13)14/h4-5,10H,15H2,1-3H3/t10-/m1/s1
• InChIKey: AYAFQEQCFBEARH-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethanamine
• Synonyms: (1R)-2,2,2-TRIFLUORO-1-(2,4,6-TRIMETHYLPHENYL)ETHYLAMINE

CALCULATED PROPERTIES

• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5620313
• LogD (pH = 7.4): 3.6528516
• Log P: 3.6541417
• Molar Refractivity: 54.7753 cm^3
• Polarizability: 20.024738 Å^3

PROPERTIES

Product Information

• Purity: 98%