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| CAS No.: | 194288-97-6 |
|---|---|
| Name: | 4-(2-fluorobenzyl)piperidine |
| Molecular Structure: | |
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| Formula: | C12H16FN |
| Molecular Weight: | 193.264 |
| Synonyms: | 4-[(2-Fluorophenyl)methyl]piperidine; |
| Density: | 1.045 g/cm3 |
| Boiling Point: | 280.987 °C at 760 mmHg |
| Flash Point: | 123.737 °C |
| PSA: | 12.03000 |
| LogP: | 2.69660 |
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- Total:15 Page 1 of 1 1
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Specification
The 4-(2-Fluorobenzyl)piperidine, with the CAS registry number 194288-97-6, is also known as 4-[(2-Fluorophenyl)methyl]piperidine. This chemical's molecular formula is C12H16FN and molecular weight is 193.26. What's more, its systematic name is 4-(2-Fluorobenzyl)piperidine.
Physical properties of 4-(2-Fluorobenzyl)piperidine are: (1)ACD/LogP: 2.593; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.50; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 55.567 cm3; (15)Molar Volume: 184.998 cm3; (16)Polarizability: 22.029×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.045 g/cm3; (19)Flash Point: 123.737 °C; (20)Enthalpy of Vaporization: 51.976 kJ/mol; (21)Boiling Point: 280.987 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cccc1)CC2CCNCC2
(2)Std. InChI: InChI=1S/C12H16FN/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
(3)Std. InChIKey: HPTZGYXMDTTYBG-UHFFFAOYSA-N