Butane,1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy- (163702-07-6)

The IUPAC name of Methyl nonafluorobutyl ether is 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane. With the CAS registry number 163702-07-6, it is also named as 1H,1H,1H-Nonafluoro-2-oxahexane. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2083.38; (6)ACD/BCF (pH 7.4): 2083.38; (7)ACD/KOC (pH 5.5): 8263.62; (8)ACD/KOC (pH 7.4): 8263.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.27; (13)Molar Refractivity: 28.29 cm³; (14)Molar Volume: 166.6 cm³; (15)Polarizability: 11.21×10^-24 cm³; (16)Surface Tension: 13 dyne/cm; (17)Enthalpy of Vaporization: 27.16 kJ/mol; (18)Vapour Pressure: 463 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 250.004019; (21)MonoIsotopic Mass: 250.004019; (22)Topological Polar Surface Area: 9.2; (23)Heavy Atom Count: 15; (24)Complexity: 229.

When you are using this chemical, please be cautious about it as the following:
The Methyl nonafluorobutyl ether is irritating to eyes, respiratory system and skin, so people should not breathe vapour and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(C(F)(F)C(F)(F)F)C(F)(F)OC
2. InChI:InChI=1/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3