2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione

The CAS register number of 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione is 17587-22-3. It also can be called as 1,1,1,2,2,3,3-Heptafluoro-7,7-dimethyl-4,6-octanedione and the systematic name about this chemical is 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione. The molecular formula about this chemical is C₁₀H₁₁F₇O₂ and the molecular weight is 296.18.

Physical properties about 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione are: (1)ACD/LogP: 6.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.33; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 37741.86; (6)ACD/BCF (pH 7.4): 7276.62; (7)ACD/KOC (pH 5.5): 64684.76; (8)ACD/KOC (pH 7.4): 12471.21; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 34.14 Å²; (12)Index of Refraction: 1.356; (13)Molar Refractivity: 49.44 cm³; (14)Molar Volume: 226.1 cm³; (15)Polarizability: 19.6x10^-24cm³; (16)Surface Tension: 21.5 dyne/cm; (17)Density: 1.309 g/cm³; (18)Flash Point: 75.5 °C; (19)Enthalpy of Vaporization: 40.91 kJ/mol; (20)Boiling Point: 172.7 °C at 760 mmHg; (21)Vapour Pressure: 1.31 mmHg at 25 °C.

Uses of 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione: it can be used to produce 5-tert-butyl-3-heptafluoropropyl-1H-pyrrole-2-carboxylic acid ethyl ester with cyanoacetic acid ethyl ester. This reaction will need reagent of toluene. This reaction needs catalytic agent of Rh₄(CO)₁₂. The reaction time is 4 hours with reaction temperature of 80 °C. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. It is irritating to respiratory system. When you are using it, do not breathe vapour and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(=O)CC(=O)C(C)(C)C)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3
(3)InChIKey: SQNZLBOJCWQLGQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3
(5)Std. InChIKey: SQNZLBOJCWQLGQ-UHFFFAOYSA-N