This chemical is called (S)-7-(Trifluoromethyl)chroman-4-amine, and it can also be named as 2H-1-Benzopyran-4-amine, 3,4-dihydro-7-(trifluoromethyl)-, (4S)-. With the molecular formula of C10H10F3NO, its molecular weight is 217.1877096. The CAS registry number of this chemical is 1140496-05-4, and its systematic name is (4S)-7-(Trifluoromethyl)chroman-4-amine.
Other characteristics of the (S)-7-(Trifluoromethyl)chroman-4-amine can be summarised as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 5.142; (6)ACD/KOC (pH 5.5): 1.279; (7)ACD/KOC (pH 7.4): 61.449; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.25 Å2; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 48.565 cm3; (14)Molar Volume: 168.388 cm3; (15)Polarizability: 19.253×10-24 cm3; (16)Surface Tension: 33.52 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 104.789 °C; (19)Enthalpy of Vaporization: 48.69 kJ/mol; (20)Boiling Point: 249.656 °C at 760 mmHg; (21)Vapour Pressure: 0.023 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc2c(cc1C(F)(F)F)OCC[C@@H]2N
2.InChI: InChI=1/C10H10F3NO/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5,8H,3-4,14H2/t8-/m0/s1
3.InChIKey: MMCIPVIZAJIRKM-QMMMGPOBBD
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