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| CAS No.: | 186386-95-8 |
|---|---|
| Name: | 1-(2-TRIFLUOROMETHOXY-PHENYL)-PIPERAZINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C11H13F3N2O |
| Molecular Weight: | 246.10 |
| Synonyms: | 1-(2-TRIFLUOROMETHOXY-PHENYL)-PIPERAZINE |
| Density: | 1.243 g/cm3 |
| Boiling Point: | 293.683 °C at 760 mmHg |
| Flash Point: | 131.415 °C |
| PSA: | 24.50000 |
| LogP: | 2.38860 |
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- Total:2 Page 1 of 1 1
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Specification
The Piperazine, 1-[2-(trifluoromethoxy)phenyl]- has the CAS registry number 186386-95-8. This chemical's molecular formula is C11H13F3N2O and molecular weight is 115.10. What's more, its systematic name is 1-[2-(trifluoromethoxy)phenyl]piperazine.
Physical properties of Piperazine, 1-[2-(trifluoromethoxy)phenyl]- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 28; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.5 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 56.941 cm3; (15)Molar Volume: 198.128 cm3; (16)Polarizability: 22.573×10-24cm3; (17)Surface Tension: 32.022 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 131.415 °C; (20)Enthalpy of Vaporization: 53.327 kJ/mol; (21)Boiling Point: 293.683 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccccc1N2CCNCC2
(2)InChI: InChI=1S/C11H13F3N2O/c12-11(13,14)17-10-4-2-1-3-9(10)16-7-5-15-6-8-16/h1-4,15H,5-8H2
(3)InChIKey: NONHMRZXKRBXRX-UHFFFAOYSA-N