FMOC-L-3,4-Difluorophe

The L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-, with the CAS registry number 198560-43-9, is also known as Fmoc-3,4-difluoro-L-phenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Amino Acid Derivatives; Peptide. This chemical's molecular formula is C₂₄H₁₉F₂NO₄ and molecular weight is 423.408766. Its IUPAC name is called (2S)-3-(3,4-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-: (1)ACD/LogP: 5.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 46.42; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 126.83; (8)ACD/KOC (pH 7.4): 5.32; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 108.38 cm³; (14)Molar Volume: 311.8 cm³; (15)Surface Tension: 54.8 dyne/cm; (16)Density: 1.357 g/cm³; (17)Flash Point: 330.4 °C; (18)Enthalpy of Vaporization: 96.96 kJ/mol; (19)Boiling Point: 622.7 °C at 760 mmHg; (20)Vapour Pressure: 2.29E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=C(C=C4)F)F)C(=O)O
(2)Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C=C4)F)F)C(=O)O
(3)InChI: InChI=1S/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
(4)InChIKey: IHSYIDJNVXPQRM-QFIPXVFZSA-N