(3S,4R)-4-(3-Fluorophenyl)pyrrolidine-3-carboxylic acid (1049975-95-2)

The IUPAC name of (3S,4R)-4-(3-Fluorophenyl)pyrrolidine-3-carboxylic acid is (3S,4R)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid. With the CAS registry number 1049975-95-2, it is also named as 3-Pyrrolidinecarboxylicacid, 4-(3-fluorophenyl)-, (3S,4R)-. The product's molecular formula is C₁₁H₁₂FNO₂ and its molecular weight is 209.22. 

The other characteristics of (3S,4R)-4-(3-Fluorophenyl)pyrrolidine-3-carboxylic acid can be summarized as: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.33; (4)ACD/LogD (pH 7.4): -1.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)XLogP3-AA: -1.3; (12)Rotatable Bond Count: 2; (13)Exact Mass: 209.085207; (14)MonoIsotopic Mass: 209.085207; (15)Heavy Atom Count: 15; (16)Complexity: 247; (17)Freely Rotating Bonds: 2; (18)Polar Surface Area: 29.54 Å²; (19)Index of Refraction: 1.545; (20)Molar Refractivity: 52.34 cm³; (21)Molar Volume: 165.3 cm³; (22)Polarizability: 20.74×10^-24cm³; (23)Surface Tension: 44.9 dyne/cm; (24)Density: 1.264 g/cm³; (25)Flash Point: 175.2 °C; (26)Enthalpy of Vaporization: 64.62 kJ/mol; (27)Boiling Point: 366.1 °C at 760 mmHg; (28)Vapour Pressure: 5.29E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@H]2[C@H](c1cc(F)ccc1)CNC2
(2)InChI:InChI=1/C11H12FNO2/c12-8-3-1-2-7(4-8)9-5-13-6-10(9)11(14)15/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10+/m0/s1
(3)InChIKey:NKGQZNWWPOLORG-VHSXEESVBM
(4)Std. InChI:InChI=1S/C11H12FNO2/c12-8-3-1-2-7(4-8)9-5-13-6-10(9)11(14)15/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10+/m0/s1
(5)Std. InChIKey:NKGQZNWWPOLORG-VHSXEESVSA-N