The Perfluoro-2-butyltetrahydrofuran, with the CAS registry number 335-36-4, is also known as 2,2,3,3,4,4,5-Heptafluorotetrahydro-5-(nonafluorobutyl)furan. It belongs to the product categories of Fluorous Chemistry; Fluorous Solvents; Synthetic Organic Chemistry. Its EINECS number is 280-562-3. This chemical's molecular formula is C8F16O and molecular weight is 416.06. What's more, its IUPAC name is 2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.
Physical properties of Perfluoro-2-butyltetrahydrofuran are: (1)ACD/LogP: 6.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.87; (4)ACD/LogD (pH 7.4): 6.87; (5)ACD/BCF (pH 5.5): 97860.78; (6)ACD/BCF (pH 7.4): 97860.78; (7)ACD/KOC (pH 5.5): 129974.09; (8)ACD/KOC (pH 7.4): 129974.09; (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: 1.278; (14)Molar Refractivity: 40.75 cm3; (15)Molar Volume: 233.6 cm3; (16)Polarizability: 16.15×10-24cm3; (17)Surface Tension: 14.7 dyne/cm; (18)Density: 1.78 g/cm3; (19)Flash Point: 17.6 °C; (20)Enthalpy of Vaporization: 32.22 kJ/mol; (21)Boiling Point: 96.6 °C at 760 mmHg; (22)Vapour Pressure: 49.5 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It may cause long-term adverse effects in the aquatic environment. You should avoid releasing it to the environment just refering to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(C(C(OC1(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6
(3)InChIKey: FYJQJMIEZVMYSD-UHFFFAOYSA-N
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