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

• ChemBase ID: 806950
• Molecular Formular: C11H14F3N
• Molecular Mass: 217.2307696
• Monoisotopic Mass: 217.10783411
• SMILES: N[C@@H](C(F)(F)F)c1ccc(cc1)CCC
• Canonical SMILES: CCCc1ccc(cc1)[C@H](C(F)(F)F)N
• InChI: InChI=1S/C11H14F3N/c1-2-3-8-4-6-9(7-5-8)10(15)11(12,13)14/h4-7,10H,2-3,15H2,1H3/t10-/m1/s1
• InChIKey: SFVAUVKBZQFRSI-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-2,2,2-trifluoro-1-(4-propylphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-2,2,2-trifluoro-1-(4-propylphenyl)ethanamine
• Synonyms: (1R)-2,2,2-TRIFLUORO-1-(4-PROPYLPHENYL)ETHYLAMINE; (1R)-2,2,2-TRIFLUORO-1-[4-(METHYLETHYL)PHENYL]ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4269905
• LogD (pH = 7.4): 3.5151875
• Log P: 3.5164363
• Molar Refractivity: 53.8949 cm^3
• Polarizability: 20.166206 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%