D-Phenylalanine,2,3,4,5-tetrafluoro- (747405-49-8)

The 2,3,4,5-Tetrafluoro-D-phenylalanine, with the cas registry number 747405-49-8, has the systematic name of (2R)-2-amino-3-(2,3,4,5-tetrafluorophenyl)propanoic acid. And the molecular formula of the chemical is C₉H₇F₄NO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 45.469 cm³; (13)Molar Volume: 154.276 cm³; (14)Polarizability: 18.025×10^-24cm³; (15)Surface Tension: 45.356 dyne/cm; (16)Density: 1.537 g/cm³; (17)Flash Point: 134.105 °C; (18)Enthalpy of Vaporization: 56.817 kJ/mol; (19)Boiling Point: 298.13 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(c(c(c(c1F)F)F)F)C[C@H](C(=O)O)N
(2)InChI: InChI=1/C9H7F4NO2/c10-4-1-3(2-5(14)9(15)16)6(11)8(13)7(4)12/h1,5H,2,14H2,(H,15,16)/t5-/m1/s1
(3)InChIKey: XPEAYFZWBKHVDF-RXMQYKEDBA