5,5,6,6,7,7,7-HEPTAFLUOROHEPTANE-2,4-DIONE

The 2,4-Heptanedione,5,5,6,6,7,7,7-heptafluoro-, with the CAS registry number 356-30-9, is also known as 1,1,1,2,2,3,3-Heptafluoro-4,6-heptanedione. This chemical's molecular formula is C₇H₅F₇O₂ and molecular weight is 254.1. What's more, its systematic name is 5,5,6,6,7,7,7-heptafluoroheptane-2,4-dione.

Physical properties of 2,4-Heptanedione,5,5,6,6,7,7,7-heptafluoro- are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.1; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 4331.24; (6)ACD/BCF (pH 7.4): 688.42; (7)ACD/KOC (pH 5.5): 13673.9; (8)ACD/KOC (pH 7.4): 2173.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.325; (14)Molar Refractivity: 35.58 cm³; (15)Molar Volume: 176.6 cm³; (16)Polarizability: 14.1×10^-24cm³; (17)Surface Tension: 19.8 dyne/cm; (18)Density: 1.438 g/cm³; (19)Flash Point: 50.6 °C; (20)Enthalpy of Vaporization: 38.32 kJ/mol; (21)Boiling Point: 146.2 °C at 760 mmHg; (22)Vapour Pressure: 4.7 mmHg at 25°C.

Preparation of 2,4-Heptanedione,5,5,6,6,7,7,7-heptafluoro-: this chemical can be prepared by propan-2-one and heptafluorobutyric acid methyl ester. This reaction will need reagent NaH and solvent diethyl ether. The yield is about 75%.

Uses of 2,4-Heptanedione,5,5,6,6,7,7,7-heptafluoro-: it can be used to produce 3-heptafluoropropyl-5-methyl-3,4-dihydro-2H-pyrazol-3-ol. It will need reagent NH₂NH₂·H₂O and solvent CHCl₃ with the reaction time of 1 hour. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(=O)CC(=O)C)C(F)(F)C(F)(F)F
(2)InChI: InChI=1S/C7H5F7O2/c1-3(15)2-4(16)5(8,9)6(10,11)7(12,13)14/h2H2,1H3
(3)InChIKey: QHBCZMRCKGKVSR-UHFFFAOYSA-N