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| CAS No.: | 1245645-72-0 |
|---|---|
| Name: | Ethyl 2,2-difluoro-2-(furan-3-yl)acetate |
| Molecular Structure: | |
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| Formula: | C8H8F2O3 |
| Molecular Weight: | 190.1441 |
| Synonyms: | 3-Furanacetic acid, α,α-difluoro-, ethyl ester; |
| Density: | 1.24 g/cm3 |
| Boiling Point: | 203.397 °C at 760 mmHg |
| Flash Point: | 76.812 °C |
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Specification
The Ethyl 2, 2-difluoro-2-(furan-3-yl)acetate, with the CAS registry number 1245645-72-0, is also known as 3-Furanacetic acid, α, α-difluoro-, ethyl ester. This chemical's molecular formula is C8H8F2O3 and molecular weight is 190.1441. What's more, its systematic name is Ethyl 2, 2-difluoro-2-(3-furyl)acetate.
Physical properties about Ethyl 2, 2-difluoro-2-(furan-3-yl)acetate are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.711; (4)ACD/LogD (pH 7.4): 2.711; (5)ACD/BCF (pH 5.5): 67.72; (6)ACD/BCF (pH 7.4): 67.72; (7)ACD/KOC (pH 5.5): 711.278; (8)ACD/KOC (pH 7.4): 711.278; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 39.042 cm3; (15)Molar Volume: 153.293 cm3; (16)Polarizability: 15.477×10-24 cm3; (17)Surface Tension: 28.132 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 76.812 °C; (20)Enthalpy of Vaporization: 43.962 kJ/mol; (21)Boiling Point: 203.397 °C at 760 mmHg; (22)Vapour Pressure: 0.278 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C(c1ccoc1)(F)F
(2) InChI: InChI=1/C8H8F2O3/c1-2-13-7(11)8(9,10)6-3-4-12-5-6/h3-5H,2H2,1H3
(3) InChIKey: MTAFZFKTPWGYRU-UHFFFAOYAQ