172883-97-5

The 4-Fluorotropacocaine, with the CAS registry number 172883-97-5, is also known as 3-(p-Fluorobenzoyloxy)tropane.It belongs to the product categories of intermediate. This chemical's molecular formula is C₁₅H₁₈FNO₂ and molecular weight is 263.31. What's more,Its systematic name is (1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-fluorobenzoate.

Physical properties about 4-Fluorotropacocaine are:(1)ACD/LogP:  3.29±0.46; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  0.21; (4)ACD/LogD (pH 7.4):  0.85; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.22; (8)ACD/KOC (pH 7.4):  5.30; (9)#H bond acceptors:  3; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  3; (12)Index of Refraction:  1.561; (13)Molar Refractivity:  70.1±0.4 cm³; (14)Molar Volume:  216.5±5.0 cm³; (15)Polarizability:  27.8±0.5 10-24cm³; (16)Surface Tension:  44.2±5.0 dyne/cm; (17)Density:  1.2±0.1 g/cm³ ; (18)Flash Point:  161.8±25.1 °C; (19)Enthalpy of Vaporization:  58.8±3.0 kJ/mol; (20)Boiling Point:  344.0±32.0 °C at 760 mmHg; (21)Vapour Pressure:  0.0±0.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CN1[C@H]2C[C@@H](C[C@H]1CC2)OC(=O)c3ccc(cc3)F;
(2)Std. InChI:InChI=1S/C15H18FNO2/c1-17-12-6-7-13(17)9-14(8-12)19-15(18)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3/t12-,13-/m1/s1;
(3)Std. InChIKey:YXDFSLSXLYAAPF-CHWSQXEVSA-N;