Piperazine,1-[3-(trifluoromethyl)-2-pyridinyl]- (87394-63-6)

The 1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine, with CAS registry number 87394-63-6, belongs to the following product categories: (1)Pharmacetical; (2)Heterocyclic Building Blocks. Its systematic name and its IUPAC name are the same, which is 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine. And the chemical formula of this chemical is C₁₀H₁₂F₃N_3.

Physical properties of 1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.62; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.31; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 63.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 19.37 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 52.87 cm³; (15)Molar Volume: 184.4 cm³; (16)Polarizability: 20.96×10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Enthalpy of Vaporization: 56.09 kJ/mol; (19)Vapour Pressure: 0.000341 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)(F)c1c(nccc1)N2CCNCC2
(2)InChI: InChI=1/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
(3)InChIKey: FRFKCMNQNNNZNO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
(5)Std. InChIKey: FRFKCMNQNNNZNO-UHFFFAOYSA-N