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| CAS No.: | 78197-27-0 |
|---|---|
| Name: | 4-Fluoropiperidine |
| Molecular Structure: | |
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| Formula: | C5H10FN |
| Molecular Weight: | 103.14 |
| Synonyms: | 4-FLUOROPIPERIDINE |
| Density: | 0.97±0.1 g/cm3 (20 ºC 760 Torr) |
| Boiling Point: | 120.2±33.0℃ (760 Torr) |
| Flash Point: | 26.5±25.4℃ |
| PSA: | 12.03000 |
| LogP: | 1.03670 |
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Specification
The 4-Fluoropiperidine, with the CAS registry number 78197-27-0, is also called piperidine, 4-fluoro-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H10FN.
The characteristics of 4-Fluoropiperidine are as followings: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.421; (12)Molar Refractivity: 26.896 cm3; (13)Molar Volume: 105.967 cm3; (14)Polarizability: 10.662×10-24cm3; (15)Surface Tension: 24.593 dyne/cm; (16)Density: 0.973 g/cm3; (17)Flash Point: 26.48 °C; (18)Enthalpy of Vaporization: 35.83 kJ/mol; (19)Boiling Point: 120.173 °C at 760 mmHg; (20)Vapour Pressure: 15.428 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1CNCCC1F
(2)InChI: InChI=1/C5H10FN/c6-5-1-3-7-4-2-5/h5,7H,1-4H2
(3)InChIKey: QBLLOOKBLTTXHB-UHFFFAOYAH