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1031721-43-3

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Basic Information
CAS No.: 1031721-43-3
Name: 2-(6-(trifluoromethyl)pyridin-3-yl)propan-2-ol
Article Data: 2
Molecular Structure:
Molecular Structure of 1031721-43-3 (2-(6-(trifluoromethyl)pyridin-3-yl)propan-2-ol)
Formula: C9H10F3NO
Molecular Weight: 205.18
Synonyms: 2-(6-Trifluoromethylpyridin-3-yl)propan-2-ol;
Density: 1.252 g/cm3
Boiling Point: 240.033 °C at 760 mmHg
Flash Point: 98.969 °C
PSA: 33.12000
LogP: 2.32780
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Specification

The 2-(6-Trifluoromethylpyridin-3-yl)propan-2-ol, with the CAS registry number 1031721-43-3, has the molecular formula C9H10F3NO, its molecular weight is 205.18. Its systematic name is called 2-[6-(trifluoromethyl)-3-pyridyl]propan-2-ol.

Physical properties of 2-(6-Trifluoromethylpyridin-3-yl)propan-2-ol: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.184; (4)ACD/LogD (pH 7.4): 1.184; (5)ACD/BCF (pH 5.5): 4.679; (6)ACD/BCF (pH 7.4): 4.679; (7)ACD/KOC (pH 5.5): 105.029; (8)ACD/KOC (pH 7.4): 105.03; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.457; (13)Molar Refractivity: 44.613 cm3; (14)Molar Volume: 163.854 cm3; (15)Surface Tension: 30.043 dyne/cm; (16)Density: 1.252 g/cm3; (17)Flash Point: 98.969 °C; (18)Enthalpy of Vaporization: 50.401 kJ/mol; (19)Boiling Point: 240.033 °C at 760 mmHg; (20)Vapour Pressure: 0.021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(c1ccc(nc1)C(F)(F)F)O
(2)InChI: InChI=1/C9H10F3NO/c1-8(2,14)6-3-4-7(13-5-6)9(10,11)12/h3-5,14H,1-2H3
(3)InChIKey: STLZRNRPGIKLHI-UHFFFAOYAU