3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one (545445-10-1)

The systematic name of 3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one is 3,3-dichloro-1-(4-iodophenyl)piperidin-2-one. With the CAS registry number 545445-10-1, it is also named as 3,3-Dichloro-1-(4-iodophenyl)-2-piperidinone. The product is API Intermediates. In addition, its molecular formula is C₁₁H₁₀Cl₂INO and molecular weight is 370.0137.

The other characteristics of 3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one can be summarized as: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 122; (6)ACD/BCF (pH 7.4): 122; (7)ACD/KOC (pH 5.5): 1083; (8)ACD/KOC (pH 7.4): 1083; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 74.457 cm³; (15)Molar Volume: 200.168 cm³; (16)Polarizability: 29.517×10^-24cm³; (17)Surface Tension: 58.696 dyne/cm; (18)Density: 1.848 g/cm³; (19)Flash Point: 249.404 °C; (20)Enthalpy of Vaporization: 75.496 kJ/mol; (21)Boiling Point: 488.778 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Ic1ccc(cc1)N2CCCC(Cl)(Cl)C2=O
(2)InChI:InChI=1/C11H10Cl2INO/c12-11(13)6-1-7-15(10(11)16)9-4-2-8(14)3-5-9/h2-5H,1,6-7H2
(3)InChIKey:JVLADMOFJQGIIN-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C11H10Cl2INO/c12-11(13)6-1-7-15(10(11)16)9-4-2-8(14)3-5-9/h2-5H,1,6-7H2
(5)Std. InChIKey:JVLADMOFJQGIIN-UHFFFAOYSA-N