5,5,5-Trifluoropentanoic acid (407-62-5)

The 5,5,5-Trifluoropentanoic acid with the cas number 407-62-5 is also called Pentanoic acid, 5,5,5-trifluoro-. Its molecular formula is C₅H₇F₃O₂. This chemical is corrosive. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -1.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.364; (14)Molar Refractivity:  27.23 cm³; (15)Molar Volume: 122 cm³; (16)Polarizability: 10.79×10^-24cm³; (17)Surface Tension: 26.3 dyne/cm; (18)Enthalpy of Vaporization: 44.84 kJ/mol; (19)Vapour Pressure: 0.73 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)CCCC(=O)O
(2)InChI: InChI=1/C5H7F3O2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H,9,10)
(3)InChIKey: RUEXKRNFAABHHU-UHFFFAOYAD