3,5-BIS(TRIFLUOROMETHYL)-DL-PHENYLALANINE

The Phenylalanine,3,5-bis(trifluoromethyl)- is an organic compound with the formula C₁₁H₉F₆NO₂. The IUPAC name of this chemical is 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid. With the CAS registry number 237076-69-6, it is also named as 3,5-Bis(trifluoromethyl)phenylalanine.

Physical properties about Phenylalanine,3,5-bis(trifluoromethyl)- are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.81; (7)ACD/KOC (pH 7.4): 1.75; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.454; (13)Molar Refractivity: 55.45 cm³; (14)Molar Volume: 204.4 cm³; (15)Polarizability: 21.98×10^-24cm³; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 1.473 g/cm³; (18)Flash Point: 121.6 °C; (19)Enthalpy of Vaporization: 54.51 kJ/mol; (20)Boiling Point: 277.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00217 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of 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)c1cc(cc(c1)C(F)(F)F)CC(C(=O)O)N
(2)InChI: InChI=1/C11H9F6NO2/c12-10(13,14)6-1-5(3-8(18)9(19)20)2-7(4-6)11(15,16)17/h1-2,4,8H,3,18H2,(H,19,20)
(3)InChIKey: NMTMNIDBMOGRKI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H9F6NO2/c12-10(13,14)6-1-5(3-8(18)9(19)20)2-7(4-6)11(15,16)17/h1-2,4,8H,3,18H2,(H,19,20)
(5)Std. InChIKey: NMTMNIDBMOGRKI-UHFFFAOYSA-N