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| CAS No.: | 18207-47-1 |
|---|---|
| Name: | Ethanone, 2,2,2-trifluoro-1-(2-furanyl)- (9CI) |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H3F3O2 |
| Molecular Weight: | 164.084 |
| Synonyms: | Ketone,2-furyl trifluoromethyl (8CI);2,2,2-Trifluoro-1-(2-furyl)ethanone;2-(Trifluoroacetyl)furan;2-Furyl trifluoromethyl ketone;2,2,2-Trifluoro-1-(furan-2-yl)ethanone; |
| Density: | 1.365 g/cm3 |
| Boiling Point: | 144.3 °C at 760 mmHg |
| Flash Point: | 41.1 °C |
| PSA: | 30.21000 |
| LogP: | 2.02460 |
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Specification
The Ethanone,2,2,2-trifluoro-1-(2-furanyl)-, with the CAS registry number 18207-47-1, is also known as 2-Furyl trifluoromethyl ketone. It belongs to the product category of Acetylhalide. This chemical's molecular formula is C6H3F3O2 and molecular weight is 164.08. What's more, its systematic name is 2,2,2-trifluoro-1-(furan-2-yl)ethanone.
Physical properties of Ethanone,2,2,2-trifluoro-1-(2-furanyl)- are: (1)ACD/LogP: 1.00; (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): 3.39; (6)ACD/BCF (pH 7.4): 3.39; (7)ACD/KOC (pH 5.5): 83.39; (8)ACD/KOC (pH 7.4): 83.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.21 Å2; (13)Index of Refraction: 1.398; (14)Molar Refractivity: 29.03 cm3; (15)Molar Volume: 120.1 cm3; (16)Polarizability: 11.51×10-24cm3; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 1.365 g/cm3; (19)Flash Point: 41.1 °C; (20)Enthalpy of Vaporization: 38.14 kJ/mol; (21)Boiling Point: 144.3 °C at 760 mmHg; (22)Vapour Pressure: 5.12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=COC(=C1)C(=O)C(F)(F)F
(2)InChI: InChI=1S/C6H3F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3H
(3)InChIKey: MAZDPKNERLXXOV-UHFFFAOYSA-N