Benzenemethanamine,2-fluoro-a-methyl-, (aR)- (185545-90-8)

The (R)-1-(2-Fluorophenyl)ethylamine, with the CAS registry number 185545-90-8, is also known as Benzenemethanamine, 2-fluoro-α-methyl-, (alphaR)-. It belongs to the product category of Halide. This chemical's molecular formula is C₈H₁₀FN and molecular weight is 139.17. Its IUPAC name and systematic name are the same which is called (1R)-1-(2-fluorophenyl)ethanamine.

Physical properties about this chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -0.41; (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): 1.95; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.512; (13)Molar Refractivity: 39.33 cm³; (14)Molar Volume: 130.8 cm³; (15)Surface Tension: 35.1 dyne/cm; (16)Density: 1.063 g/cm³; (17)Flash Point: 70.2 °C; (18)Enthalpy of Vaporization: 41.6 kJ/mol; (19)Boiling Point: 179.8 °C at 760 mmHg; (20)Vapour Pressure: 0.926 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC=CC=C1F)N
(2)Isomeric SMILES: C[C@H](C1=CC=CC=C1F)N
(3)InChI: InChI=1S/C8H10FN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m1/s1
(4)InChIKey: DIWHJJUFVGEXGS-ZCFIWIBFSA-N