1,1,1,2,2-PENTAFLUOROPROPANE

The Propane,1,1,1,2,2-pentafluoro-, with the CAS registry number 1814-88-6, is also known as 3-Chloro-4-cyanobenzotrifluoride. It belongs to the product category of Refrigerants. This chemical's molecular formula is C₃H₃F₅ and molecular weight is 134.05. What's more, its IUPAC name is 1,1,1,2,2-pentafluoropropane.

Physical properties of Propane,1,1,1,2,2-pentafluoro- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.44; (6)ACD/BCF (pH 7.4): 7.44; (7)ACD/KOC (pH 5.5): 146.38; (8)ACD/KOC (pH 7.4): 146.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.25; (14)Molar Refractivity: 16.69 cm³; (15)Molar Volume: 105.3 cm³; (16)Polarizability: 6.61×10^-24cm³; (17)Surface Tension: 10.3 dyne/cm; (18)Density: 1.271 g/cm³; (19)Enthalpy of Vaporization: 21.99 kJ/mol; (20)Vapour Pressure: 3930 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1,1,2,2-pentafluoro-3-iodo-propane by heating. This reaction will need reagent tributyltin hydride with the reaction time of 2 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
You should keep container tightly closed in a cool and well-ventilated place. What's more, you'd better not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C)C(F)(F)F
(2)Std. InChI: InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3
(3)Std. InChIKey: FDOPVENYMZRARC-UHFFFAOYSA-N