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204704-95-0

Basic Information
CAS No.: 204704-95-0
Name: Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
Molecular Structure:
Molecular Structure of 204704-95-0 (Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate)
Formula: C20H22F3NO3
Molecular Weight: 381.395
Synonyms: Carbamicacid, methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-, ethyl ester (9CI);
Density: 1.199g/cm3
Boiling Point: 459.793 °C at 760 mmHg
Flash Point: 231.875 °C
PSA: 38.77000
LogP: 5.30390
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Specification

The Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate with cas registry number of 204704-95-0, has the systematic name of ethyl methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}carbamate. And it is also named carbamic acid, N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.513; (8)Molar Refractivity: 95.695 cm3; (9)Molar Volume: 318.172 cm3; (10)Polarizability: 37.936×10-24cm3; (11)Surface Tension: 36.32 dyne/cm; (12)Enthalpy of Vaporization: 72.035 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: FC(F)(F)c2ccc(OC(c1ccccc1)CCN(C(=O)OCC)C)cc2;
(2)InChI: InChI=1/C20H22F3NO3/c1-3-26-19(25)24(2)14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)20(21,22)23/h4-12,18H,3,13-14H2,1-2H3;
(3)InChIKey: AUXZZUAGZGDPRQ-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C20H22F3NO3/c1-3-26-19(25)24(2)14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)20(21,22)23/h4-12,18H,3,13-14H2,1-2H3;
(5)Std. InChIKey: AUXZZUAGZGDPRQ-UHFFFAOYSA-N