BOC-L-3-FLUOROPHENYLALANINE

The Boc-L-3-Fluorophenylalanine, with the CAS registry number 114873-01-7, is also known as Boc-3-fluoro-L-phenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Peptide; a-Amino. This chemical's molecular formula is C₁₄H₁₈FNO₄ and molecular weight is 283.295423. Its IUPAC name is called (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino] propanoic acid. When you are using this chemical, please be cautious about it. It is irritant. You must avoid contact with skin and eyes. The product should be sealed and stored in cool and dry place at 0-6°C.

Physical properties of Boc-L-3-Fluorophenylalanine: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/LogD (pH 7.4): -0.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 70.45 cm³; (13)Molar Volume: 232.8 cm³; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.216 g/cm³; (16)Flash Point: 210.8 °C; (17)Enthalpy of Vaporization: 71.64 kJ/mol; (18)Boiling Point: 425 °C at 760 mmHg; (19)Vapour Pressure: 5.57E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)F)C(=O)O
(2)Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)F)C(=O)O
(3)InChI: InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(4)InChIKey: FPCCREICRYPTTL-NSHDSACASA-N