3-FLUORO-D-PHENYLALANINE

The DL-3-Fluorophenylalanine, with CAS registry number 2629-54-1, belongs to the following product categories: (1)Phenylalanine analogs and other aromatic alpha amino acids; (2)Non-natural amino acids. It has the systematic name of 3-fluorophenylalanine. This chemical is a kind of white to off-white amorphous powder. What's more, its EINECS is 220-104-1.

Physical properties of DL-3-Fluorophenylalanine: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.33; (4)ACD/LogD (pH 7.4): -1.34; (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: 1.555; (14)Molar Refractivity: 45.48 cm³; (15)Molar Volume: 141.6 cm³; (16)Polarizability: 18.03×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Enthalpy of Vaporization: 57.6 kJ/mol; (19)Vapour Pressure: 0.000369 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce Boc-DL-m-FPhe. This reaction will need reagent Et₃N and solvents H₂O, dioxane. The reaction time is 2.5 hour(s). The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
The DL-3-Fluorophenylalanine irritates to respiratory system. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)CC(C(=O)O)N
(2)InChI: InChI=1/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
(3)InChIKey: VWHRYODZTDMVSS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
(5)Std. InChIKey: VWHRYODZTDMVSS-UHFFFAOYSA-N