The (S)-2-(3-Fluorophenyl)pyrrolidine is an organic compound with the formula C10H12FN. The systematic name of this chemical is (2R)-2-(3-fluorophenyl)pyrrolidine. With the CAS registry number 920274-04-0, it is also named as pyrrolidine, 2-(3-fluorophenyl)-, (2R)-. The product's category is Pharmaceutical Intermediate.
Physical properties about (S)-2-(3-Fluorophenyl)pyrrolidine are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): -1.26; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 46.23 cm3; (14)Molar Volume: 153.1 cm3; (15)Polarizability: 18.32×10-24cm3; (16)Surface Tension: 35.3 dyne/cm; (17)Density: 1.078 g/cm3; (18)Flash Point: 94.3 °C; (19)Enthalpy of Vaporization: 46.9 kJ/mol; (20)Boiling Point: 232.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0595 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(c1)[C@@H]2NCCC2
(2)InChI: InChI=1/C10H12FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2/t10-/m1/s1
(3)InChIKey: OADZVVBVXBBMPW-SNVBAGLBBH
(4)Std. InChI: InChI=1S/C10H12FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2/t10-/m1/s1
(5)Std. InChIKey: OADZVVBVXBBMPW-SNVBAGLBSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View