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The 4-(4-Ttifluoromethylphenoxy)aniline, with the CAS registry number 57478-19-0, is also known as [4-[(4-Trifluoromethylphenyl)oxy]phenyl]amine. This chemical's molecular formula is C13H10F3NO and molecular weight is 253.22. What's more, its systematic name is 4-[4-(trifluoromethyl)phenoxy]aniline.
Physical properties of 4-(4-Ttifluoromethylphenoxy)aniline are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 49.51; (6)ACD/BCF (pH 7.4): 53.5; (7)ACD/KOC (pH 5.5): 555.87; (8)ACD/KOC (pH 7.4): 600.69; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.545 ; (14)Molar Refractivity: 61.91 cm3; (15)Molar Volume: 195.8 cm3; (16)Polarizability: 24.54×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 150.8 °C; (20)Enthalpy of Vaporization: 56.79 kJ/mol; (21)Boiling Point: 325.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000226 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccc(Oc1ccc(cc1)N)cc2
(2)InChI: InChI=1S/C13H10F3NO/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-8H,17H2
(3)InChIKey: SMLYUHJGJWSUEC-UHFFFAOYSA-N