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| CAS No.: | 914458-26-7 |
|---|---|
| Name: | [5-(2-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone |
| Molecular Structure: | |
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| Formula: | C26H24FNO |
| Molecular Weight: | 385.481 |
| Synonyms: | Methanone, [5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-; |
| Density: | 1.11 g/cm3 |
| Boiling Point: | 550.6 °C at 760 mmHg |
| Flash Point: | 286.8 °C |
| PSA: | 22.00000 |
| LogP: | 6.86860 |
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Specification
The [5-(2-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone with CAS registry number of 914458-26-7 is also known as Methanone, [5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-. The systematic name and product name are the same. In addition, the formula is C26H24FNO and the molecular weight is 385.47.
Physical properties about [5-(2-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone are: (1)ACD/LogP: 8.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.07; (4)ACD/LogD (pH 7.4): 8.07; (5)ACD/BCF (pH 5.5):; (6)794471.44 ACD/BCF (pH 7.4): 794471.44; (7)ACD/KOC (pH 5.5): 581896; (8)ACD/KOC (pH 7.4): 581896; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 22Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 116.67 cm3; (15)Molar Volume: 346.9 cm3; (16)Polarizability: 46.25×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 286.8 °C; (20)Enthalpy of Vaporization: 83.08 kJ/mol; (21)Boiling Point: 550.6 °C at 760 mmHg; (22)Vapour Pressure: 3.58E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Fc4ccccc4c1cc(cn1CCCCC)C(=O)c3c2ccccc2ccc3
2. InChI: InChI=1/C26H24FNO/c1-2-3-8-16-28-18-20(17-25(28)23-13-6-7-15-24(23)27)26(29)22-14-9-11-19-10-4-5-12-21(19)22/h4-7,9-15,17-18H,2-3,8,16H2,1H3
3. InChIKey: WYNZPDDTQGVCLZ-UHFFFAOYAK
4. Std. InChI: InChI=1S/C26H24FNO/c1-2-3-8-16-28-18-20(17-25(28)23-13-6-7-15-24(23)27)26(29)22-14-9-11-19-10-4-5-12-21(19)22/h4-7,9-15,17-18H,2-3,8,16H2,1H3
5. Std. InChIKey: WYNZPDDTQGVCLZ-UHFFFAOYSA-N