(1R)-2,2,2-trifluoro-1-(2,3,4,5-tetramethylphenyl)ethan-1-amine

• ChemBase ID: 807112
• Molecular Formular: C12H16F3N
• Molecular Mass: 231.2573496
• Monoisotopic Mass: 231.12348418
• SMILES: N[C@@H](C(F)(F)F)c1c(c(c(c(c1)C)C)C)C
• Canonical SMILES: Cc1cc(c(c(c1C)C)C)[C@H](C(F)(F)F)N
• InChI: InChI=1S/C12H16F3N/c1-6-5-10(11(16)12(13,14)15)9(4)8(3)7(6)2/h5,11H,16H2,1-4H3/t11-/m1/s1
• InChIKey: WFFVMPBITUOCHF-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-2,2,2-trifluoro-1-(2,3,4,5-tetramethylphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-2,2,2-trifluoro-1-(2,3,4,5-tetramethylphenyl)ethanamine
• Synonyms: (R)-2,2,2-TRIFLUORO-1-(2,3,4,5-TETRAMETHYL-PHENYL)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.066842
• LogD (pH = 7.4): 4.166138
• Log P: 4.167563
• Molar Refractivity: 59.8165 cm^3
• Polarizability: 21.770796 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%