1,1'-Biphenyl,2-[(trifluoromethyl)sulfinyl]- (129922-49-2)

The 2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl, with CAS registry number 129922-49-2, has the systematic name of 2-[(trifluoromethyl)sulfinyl]biphenyl. Besides this, it is also called Biphenyl-2-yl trifluoromethyl sulfoxide and 1,1'-biphenyl, 2-[(trifluoromethyl)sulfinyl]-. And the chemical formula of this chemical is C₁₃H₉F₃OS.

Physical properties of 2-[(Trifluoromethyl)sulfinyl]-1,1'-biphenyl: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 715; (6)ACD/BCF (pH 7.4): 715; (7)ACD/KOC (pH 5.5): 3845; (8)ACD/KOC (pH 7.4): 3845; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.28 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 65.325 cm³; (15)Molar Volume: 192.735 cm³; (16)Polarizability: 25.897×10^-24cm³; (17)Surface Tension: 49.97 dyne/cm; (18)Enthalpy of Vaporization: 58.146 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)S(=O)c2ccccc2c1ccccc1
(2)InChI: InChI=1/C13H9F3OS/c14-13(15,16)18(17)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
(3)InChIKey: CLDLXLKMMYJIEK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H9F3OS/c14-13(15,16)18(17)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
(5)Std. InChIKey: CLDLXLKMMYJIEK-UHFFFAOYSA-N