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1017781-57-5

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Basic Information
CAS No.: 1017781-57-5
Name: 2,2,2-TRIFLUORO-1-THIOPHEN-3-YLMETHYL-ETHYLAMINE
Molecular Structure:
Molecular Structure of 1017781-57-5 (2,2,2-TRIFLUORO-1-THIOPHEN-3-YLMETHYL-ETHYLAMINE)
Formula: C7H8F3NS
Molecular Weight: 195.20
Synonyms: S14-2661;1,1,1-trifluoro-3-(thiophen-3-yl)propan-2-amine;2,2,2-TRIFLUORO-1-THIOPHEN-3-YLMETHYLETHYLAMINE;2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine;
Density: 1.312 g/cm3
Boiling Point: 231.8 °C at 760 mmHg
PSA: 54.26000
LogP: 2.88050
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Specification

This chemical is called 2,2,2-Trifluoro-1-thiophen-3-ylmethylethylamine, and its systematic name is 1,1,1-trifluoro-3-(3-thienyl)propan-2-amine. With the molecular formula of C7H8F3NS, its molecular weight is 195.20. The CAS registry number of this chemical is 1017781-57-5.

Other characteristics of the 2,2,2-Trifluoro-1-thiophen-3-ylmethylethylamine can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.35 ; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 54.26 Å2; (9)Index of Refraction: 1.487; (10)Molar Refractivity: 42.77 cm3; (11)Molar Volume: 148.6 cm3; (12)Polarizability: 16.95×10-24cm3; (13)Surface Tension: 33.1 dyne/cm; (14)Density: 1.312 g/cm3; (15)Flash Point: 94 °C; (16)Enthalpy of Vaporization: 46.85 kJ/mol; (17)Boiling Point: 231.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0611 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cscc1CC(C(F)(F)F)N
2.InChI: InChI=1/C7H8F3NS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6H,3,11H2
3.InChIKey: JZIOYEJXMKNDLL-UHFFFAOYAH