Benzenepropanoic acid, b-amino-4-(trifluoromethyl)-, (bS)- (790203-84-8)

The CAS register number of (S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid is 790203-84-8. It also can be called as Benzenepropanoic acid, b-amino-4-(trifluoromethyl)-, (bS)- and the systematic name about this chemical is 4-(trifluoromethyl)-L-phenylalanine. It belongs to the following product categories, such as 3-Amino-3-phenylpropanoic Acid Analogs, B-Amino and so on.

Physical properties about (S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): -0.81; (3)ACD/LogD (pH 7.4): -0.83; (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: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54Ų; (12)Index of Refraction: 1.502; (13)Molar Refractivity: 50.47 cm³; (14)Molar Volume: 170.9 cm³; (15)Polarizability: 20x10^-24cm³; (16)Surface Tension: 39.6 dyne/cm; (17)Flash Point: 142.2 °C; (18)Enthalpy of Vaporization: 58.33 kJ/mol; (19)Boiling Point: 311.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00024 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
(3)InChIKey: CRFFPDBJLGAGQL-QMMMGPOBBB
(4)Std. InChI: InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
(5)Std. InChIKey: CRFFPDBJLGAGQL-QMMMGPOBSA-N