Specification: |
The 4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole, with the cas registry number of 37697-64-6, is also known as 1,3-Dioxole, 4,5-difluoro-2,2-bis(trifluoromethyl)- and 2,2-Bis(Trifluoromethyl)-4,5-difluoro-1,3-dioxole. Its molecular formula is C5F8O2 and formula weight is 244.04. What's more, both its IUPAC name and systematic name are the same which is called 4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole.
Physical properties about this chemical are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1310.66; (6)ACD/BCF (pH 7.4): 1310.66; (7)ACD/KOC (pH 5.5): 5930.58; (8)ACD/KOC (pH 7.4): 5930.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.307; (14)Molar Refractivity: 27.06 cm3; (15)Molar Volume: 141.5 cm3; (16)Surface Tension: 16 dyne/cm; (17)Density: 1.72 g/cm3; (18)Enthalpy of Vaporization: 27.53 kJ/mol; (19)Boiling Point: 43 °C at 760 mmHg; (20)Vapour Pressure: 396 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: this chemical may cause inflammation to the skin or other mucous membranes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(OC(O1)(C(F)(F)F)C(F)(F)F)F)F;
(2)InChI: InChI=1S/C5F8O2/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13;
(3)InChIKey: YSYRISKCBOPJRG-UHFFFAOYSA-N.
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