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848080-31-9

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Basic Information
CAS No.: 848080-31-9
Name: Methanesulfonamide, N-(1-ethyl-1,2,3,4-tetrahydro-7-quinolinyl)-1,1,1-trifluoro-
Molecular Structure:
Molecular Structure of 848080-31-9 (Methanesulfonamide, N-(1-ethyl-1,2,3,4-tetrahydro-7-quinolinyl)-1,1,1-trifluoro-)
Formula: C12H15F3N2O2S
Molecular Weight: 308.3199
Synonyms: N-(1-Ethyl-1,2,3,4-tetrahydroquinolin-7-yl)-1,1,1-trifluoromethanesulfonamide;
Density: 1.39 g/cm3
Boiling Point: 371.268 °C at 760 mmHg
Flash Point: 178.337 °C
PSA: 57.79000
LogP: 3.93940
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Specification

The IUPAC name of Methanesulfonamide,N-(1-ethyl-1,2,3,4-tetrahydro-7-quinolinyl)-1,1,1-trifluoro- is N-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)-1,1,1-trifluoromethanesulfonamide. With the CAS registry number 848080-31-9, it is also named as N-(1-Ethyl-1,2,3,4-tetrahydroquinolin-7-yl)-1,1,1-trifluoromethanesulfonamide. In addition, its molecular formula is C12H15F3N2O2S and its molecular weight is 308.3199.

The other characteristics of Methanesulfonamide,N-(1-ethyl-1,2,3,4-tetrahydro-7-quinolinyl)-1,1,1-trifluoro- can be summarized as: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.477; (4)ACD/LogD (pH 7.4): 1.447; (5)ACD/BCF (pH 5.5): 2.676; (6)ACD/BCF (pH 7.4): 2.496; (7)ACD/KOC (pH 5.5): 19.794; (8)ACD/KOC (pH 7.4): 18.463; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.79 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 69.197 cm3; (15)Molar Volume: 221.777 cm3; (16)Polarizability: 27.432×10-24cm3; (17)Surface Tension: 43.306 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 178.337 °C; (20)Enthalpy of Vaporization: 61.827 kJ/mol; (21)Boiling Point: 371.268 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CCN1CCCc2c1cc(cc2)NS(=O)(=O)C(F)(F)F
(2)InChI: InChI=1/C12H15F3N2O2S/c1-2-17-7-3-4-9-5-6-10(8-11(9)17)16-20(18,19)12(13,14)15/h5-6,8,16H,2-4,7H2,1H3
(3)InChIKey: UDCZVINYUQFTCY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H15F3N2O2S/c1-2-17-7-3-4-9-5-6-10(8-11(9)17)16-20(18,19)12(13,14)15/h5-6,8,16H,2-4,7H2,1H3
(5)Std. InChIKey: UDCZVINYUQFTCY-UHFFFAOYSA-N