Phenylalanine,4-(trifluoromethyl)- (14091-16-8)

The 4-(Trifluoromethyl)-DL-phenylalanine, with cas registry number 14091-16-8, has the systematic name of 4-(trifluoromethyl)phenylalanine. And it is also called Phenylalanine, 4-(trifluoromethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 50.47 cm³; (15)Molar Volume: 170.9 cm³; (16)Polarizability: 20×10^-24cm³; (17)Surface Tension: 39.6 dyne/cm; (18)Enthalpy of Vaporization: 58.33 kJ/mol; (19)Vapour Pressure: 0.00024 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-(Trifluoromethyl)-DL-phenylalanine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
(2)InChI: InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)
(3)InChIKey: CRFFPDBJLGAGQL-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)
(5)Std. InChIKey: CRFFPDBJLGAGQL-UHFFFAOYSA-N