L-Phenylalanine,2,3,4,5,6-pentafluoro- (34702-59-5)

The L-Pentafluorophe, with the CAS registry number 34702-59-5, is also known as L-2,3,4,5,6-Pentafluorophenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Amino Acid Derivatives and A-amino. This chemical's molecular formula is C₉H₆F₅NO₂ and molecular weight is 255.14. What's more, its IUPAC name is (2S)-2-Amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid and systematic name is called 2,3,4,5,6-Pentafluoro-L-phenylalanine.

Physical properties about L-Pentafluorophe are: (1) ACD/LogP: 1.30; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.19; (4) ACD/LogD (pH 7.4): -1.33; (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: 1.485; (14) Molar Refractivity: 45.46 cm³; (15) Molar Volume: 158.4 cm³; (16) Surface Tension: 43.7 dyne/cm; (17) Density: 1.609 g/cm³; (18) Flash Point: 126.9 °C; (19) Enthalpy of Vaporization: 55.49 kJ/mol; (20) Boiling Point: 286.3 °C at 760 mmHg; (21) Vapour Pressure: 0.00124 mmHg at 25 °C. 

When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(c(F)c(F)c(F)c1F)C[C@@H](C(=O)O)N
(2) InChI: InChI=1/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
(3) InChIKey: YYTDJPUFAVPHQA-VKHMYHEABZ