4-AMINO-2,5-DIFLUOROBENZOTRIFLUORIDE

The IUPAC name of 4-Amino-2,5-difluorobenzotrifluoride is 2,5-difluoro-4-(trifluoromethyl)aniline. With the CAS registry number 114973-22-7, it is also named as Benzenamine, 2,5-difluoro-4-(trifluoromethyl)-. In addition, its molecular formula is C₇H₄F₅N and its molecular weight is 197.10.

The other characteristics of 4-Amino-2,5-difluorobenzotrifluoride can be summarized as: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.77; (6)ACD/BCF (pH 7.4): 62.77; (7)ACD/KOC (pH 5.5): 673.69; (8)ACD/KOC (pH 7.4): 673.69; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 35.45 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 14.05×10^-24cm³; (17)Surface Tension: 26.9 dyne/cm; (18)Density: 1.474 g/cm³; (19)Flash Point: 75.5 °C; (20)Enthalpy of Vaporization: 42.16 kJ/mol; (21)Boiling Point: 185.3 °C at 760 mmHg; (22)Vapour Pressure: 0.701 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cc(c(F)cc1N)C(F)(F)F
(2)InChI: InChI=1/C7H4F5N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2
(3)InChIKey: FPEXXFHBKBTGJL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H4F5N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2
(5)Std. InChIKey: FPEXXFHBKBTGJL-UHFFFAOYSA-N