Basic information
- Name:
1,3-Dioxane-4,6-dione,5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-
- Superlist Name:
- 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- CAS No.:
764667-64-3
- Molecular Structure:
![Molecular Structure of 764667-64-3 (1,3-Dioxane-4,6-dione,5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-)](http://www.lookchem.com/300w/2010/0624/764667-64-3.jpg)
- Formula:
- C14H11F3O5
- Molecular Weight:
- 316.23
- Synonyms:
- 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione;1,3-dioxane-4,6-dione, 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-;
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Specification
The 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione with the cas number 764667-64-3. It is also called 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Properties of 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione: (1)ACD/LogP: 1.01 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): ; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 7.68 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 72.83Å2 ; (13)Index of Refraction: 1.523 ; (14)Molar Refractivity: 66.08 cm3 ; (15)Molar Volume: 216.1 cm3 ; (16)Polarizability: 26.19 ×10-24cm3 ; (17)Surface Tension: 45.4 dyne/cm ; (18)Density: 1.462 g/cm3 ; (19)Flash Point: 249.6 °C ; (20)Enthalpy of Vaporization: 79.55 kJ/mol; (21)Boiling Point: 489 °C at 760 mmHg ; (22)Vapour Pressure: 2.23E-10 mmHg at 25°C
You can still convert the following datas into molecular structure :
1. SMILES: CC1(OC(=O)C(=C(Cc2cc(c(cc2F)F)F)O)C(=O)O1)C
2. InChI: InChI=1/C14H11F3O5/c1-14(2)21-12(19)11(13(20)22-14)10(18)4-6-3-8(16)9(17)5-7(6)15/h3,5,18H,4H2,1-2H3
