The (1,1,2,2-Tetrafluoroethoxy)cyclohexane, with the CAS registry number 456-63-3, is also known as Cyclohexyl 1,1,2,2-tetrafluoroethyl ether. This chemical's molecular formula is C8H12F4O and molecular weight is 200.17. What's more, its IUPAC name is 1,1,2,2-Tetrafluoroethoxycyclohexane and systematic name is called (1,1,2,2-Tetrafluoroethoxy)cyclohexane.
Physical properties about (1,1,2,2-Tetrafluoroethoxy)cyclohexane are: (1) ACD/LogP: 2.97; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.97; (4) ACD/LogD (pH 7.4): 2.97; (5) ACD/BCF (pH 5.5): 105.91; (6) ACD/BCF (pH 7.4): 105.91; (7) ACD/KOC (pH 5.5): 979.64; (8) ACD/KOC (pH 7.4): 979.64; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 9.23 Å2; (13) Index of Refraction: 1.375; (14) Molar Refractivity: 39.22 cm3; (15) Molar Volume: 171.1 cm3; (16) Surface Tension: 21.8 dyne/cm; (17) Density: 1.16 g/cm3; (18) Flash Point: 54.1 °C; (19) Enthalpy of Vaporization: 38.77 kJ/mol; (20) Boiling Point: 167.9 °C at 760 mmHg; (21) Vapour Pressure: 2.2 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(OC1CCCCC1)C(F)F
(2) InChI: InChI=1/C8H12F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h6-7H,1-5H2
(3) InChIKey: DKMSBDIJYXIGEB-UHFFFAOYAJ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC | inhalation | > 2500mg/m3/10 (2500mg/m3) | National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. Mar, 1942. |
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