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| CAS No.: | 17515-75-2 |
|---|---|
| Name: | 2-Methyl-5-(trifluoromethyl)furan |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H5F3O |
| Molecular Weight: | 150.1 |
| Synonyms: | 2-Methyl-5-(trifluoromethyl)furan |
| Density: | 1.23 g/cm3 |
| Boiling Point: | 102.172 °C at 760 mmHg |
| Flash Point: | 15.594 °C |
| PSA: | 13.14000 |
| LogP: | 2.60680 |
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Specification
This chemical is called 2-Methyl-5-(trifluoromethyl)furan, and it can also be named as Furan, 2-methyl-5-(trifluoromethyl)-. With the molecular formula of C6H5F3O, its molecular weight is 150.10. The CAS registry number of this chemical is 17515-75-2.
Other characteristics of the 2-Methyl-5-(trifluoromethyl)furan can be summarised as followings: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 40; (6)ACD/BCF (pH 7.4): 40; (7)ACD/KOC (pH 5.5): 488; (8)ACD/KOC (pH 7.4): 488; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.381; (14)Molar Refractivity: 28.357 cm3; (15)Molar Volume: 122.014 cm3; (16)Polarizability: 11.242×10-24cm3; (17)Surface Tension: 19.411 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 15.594 °C; (20)Enthalpy of Vaporization: 32.721 kJ/mol; (21)Boiling Point: 102.172 °C at 760 mmHg; (22)Vapour Pressure: 39.347 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1oc(cc1)C
2.InChI: InChI=1/C6H5F3O/c1-4-2-3-5(10-4)6(7,8)9/h2-3H,1H3
3.InChIKey: DYXDJGFXCAAAHR-UHFFFAOYAZ