4,4,5,5,6,6,6-HEPTAFLUOROHEXANOIC ACID

The Hexanoic acid,4,4,5,5,6,6,6-heptafluoro-, with the CAS registry number 356-02-5, is also known as 2H,2H,3H,3H-Perfluorohexanoic acid. This chemical's molecular formula is C₆H₅F₇O₂ and molecular weight is 242.09. What's more, both its IUPAC name and systematic name are the same which is called 4,4,5,5,6,6,6-Heptafluorohexanoic acid.

Physical properties about Hexanoic acid,4,4,5,5,6,6,6-heptafluoro- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.59; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.326; (14)Molar Refractivity: 32.45 cm³; (15)Molar Volume: 160.4 cm³; (16)Polarizability: 12.86×10^-24 cm³; (17)Surface Tension: 21.2 dyne/cm; (18)Density: 1.508 g/cm³; (19)Flash Point: 55.9 °C; (20)Enthalpy of Vaporization: 44.68 kJ/mol; (21)Boiling Point: 168.8 °C at 760 mmHg; (22)Vapour Pressure: 0.79 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)F)CCC(=O)O
(2)InChI: InChI=1/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)
(3)InChIKey: ISFKSWMQWIRDNC-UHFFFAOYAT