PERFLUOROISONONYL IODIDE

The Octane,1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)- is an organic compound with the formula C₉F₁₉I. The IUPAC name of this chemical is 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane. With the CAS registry number 865-77-0, it is also named as 1-Iodoperfluoro(7-methyloctane).

Physical properties about Octane,1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)- are: (1)ACD/LogP: 9.78; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.78; (4)ACD/LogD (pH 7.4): 9.78; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4974230; (8)ACD/KOC (pH 7.4): 4974230; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.32; (11)Molar Refractivity: 59.51 cm³; (12)Molar Volume: 299.8 cm³; (13)Polarizability: 23.59×10^-24cm³; (14)Surface Tension: 16.1 dyne/cm; (15)Density: 1.987 g/cm³; (16)Flash Point: 80.4 °C; (17)Enthalpy of Vaporization: 40.13 kJ/mol; (18)Boiling Point: 182.3 °C at 760 mmHg; (19)Vapour Pressure: 1.11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)I)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29
(3)InChIKey: VRJGWRPPKVEMMR-UHFFFAOYAT
(4)Std. InChI:; (5)InChI=1S/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29
(6)Std. InChIKey: VRJGWRPPKVEMMR-UHFFFAOYSA-N