1-Piperidinecarboxylicacid, 3-fluoro-4-oxo-, 1,1-dimethylethyl ester (211108-50-8)

The tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate, with the CAS registry number 211108-50-8, is also called 1-Piperidinecarboxylic acid, 3-fluoro-4-oxo-, 1,1-dimethylethyl ester. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₆FNO₃.

The characteristics of tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate are as followings: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44; (8)ACD/KOC (pH 7.4): 44; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 52.259 cm³; (15)Molar Volume: 188.537 cm³; (16)Polarizability: 20.717×10^-24cm³; (17)Surface Tension: 35.857 dyne/cm; (18)Density: 1.152 g/cm³; (19)Flash Point: 128.413 °C; (20)Enthalpy of Vaporization: 52.797 kJ/mol; (21)Boiling Point: 288.719 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CCC(=O)C(F)C1
(2)InChI: InChI=1/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3
(3)InChIKey: JZNWQLLPLOQGOI-UHFFFAOYAI