(1R)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethan-1-amine

• ChemBase ID: 806863
• Molecular Formular: C14H12F3NO
• Molecular Mass: 267.2463896
• Monoisotopic Mass: 267.08709867
• SMILES: N[C@@H](C(F)(F)F)c1ccc(cc1)Oc1ccccc1
• Canonical SMILES: N[C@@H](C(F)(F)F)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H12F3NO/c15-14(16,17)13(18)10-6-8-12(9-7-10)19-11-4-2-1-3-5-11/h1-9,13H,18H2/t13-/m1/s1
• InChIKey: SWQKOIKHGVRIKL-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5326858
• LogD (pH = 7.4): 3.6130376
• Log P: 3.6141648
• Molar Refractivity: 65.8925 cm^3
• Polarizability: 25.02858 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%