5-(TRIFLUOROACETYLAMINO)-1-PENTANOL

The Acetamide, 2,2,2-trifluoro-N-(5-hydroxypentyl)-, with the CAS registry number 128238-44-8, is also known as 5-(Trifluoroacetylamino)-1-pentanol. This chemical's molecular formula is C₇H₁₂F₃NO₂ and molecular weight is 199.17. What's more, its systematic name is 2,2,2-Trifluoro-N-(5-hydroxypentyl)acetamide.

Physical properties of Acetamide, 2,2,2-trifluoro-N-(5-hydroxypentyl)- are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.62; (8)ACD/KOC (pH 7.4): 33.62; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.404; (14)Molar Refractivity: 40.09 cm³; (15)Molar Volume: 163.9 cm³; (16)Polarizability: 15.89×10^-24 cm³; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 1.215 g/cm³; (19)Flash Point: 118.9 °C; (20)Enthalpy of Vaporization: 59.36 kJ/mol; (21)Boiling Point: 273 °C at 760 mmHg; (22)Vapour Pressure: 0.000758 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-amino-pentan-1-ol and trifluoroacetic acid methyl ester at the temperature of 5-20 °C. This reaction will need reagent 1,1,3,3-tetramethylguanidine and solvent CH₂Cl₂ with the reaction time of 17 hours. The yield is about 98%.

Uses of Acetamide, 2,2,2-trifluoro-N-(5-hydroxypentyl)-: it can be used to produce N-{5-[4,6-di-tert-butyl-2-methyl-2-(1,2,2-trimethyl-propoxy)-1,3-dioxa-2λ⁵-phospha-indan-2-yloxy]-pentyl}-2,2,2-trifluoro-acetamide at the temperature of 0-20 °C. It will need solvent CH₂Cl₂ with the reaction time of 17 hours. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCCCO)C(F)(F)F
(2)InChI: InChI=1S/C7H12F3NO2/c8-7(9,10)6(13)11-4-2-1-3-5-12/h12H,1-5H2,(H,11,13)
(3)InChIKey: SCHGQSPQAJAJRI-UHFFFAOYSA-N