(R)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)benzenemethanol (927812-33-7)

The (R)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)benzenemethanol, with the CAS number 927812-33-7, is also called (aR)-2-amino-5-chloro-α-(2-cyclopropylethynyl)-α-(trifluoromethyl)benzenemethanol. The systematic name is (2R)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol. Its molecular formula is C₁₃H₁₁ClF₃NO. This chemical belongs to the following product categories: (1)Chiral Reagents; (2)Intermediates; (3)Intermediates & Fine Chemicals; (4)Pharmaceuticals.

The properties of the (R)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)benzenemethanol are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 441.47; (6)ACD/BCF (pH 7.4): 436.45; (7)ACD/KOC (pH 5.5): 2721.1; (8)ACD/KOC (pH 7.4): 2690.22; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 65.46 cm³; (15)Molar Volume: 198.1 cm³; (16)Polarizability: 25.95×10^-24cm³; (17)Surface Tension: 51.9 dyne/cm; (18)Enthalpy of Vaporization: 71.65 kJ/mol; (19)Vapour Pressure: 5.54×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)[C@@](O)(C#CC1CC1)c2cc(Cl)ccc2N
(2)InChI: InChI=1/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m1/s1
(3)InChIKey: KEMUGFRERPPUHB-GFCCVEGCBT