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| CAS No.: | 363179-66-2 |
|---|---|
| Name: | 3,3-difluoro-Piperidine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C5H9F2N |
| Molecular Weight: | 121.13 |
| Synonyms: | 3,3-DIFLUOROPIPERIDINE;Piperidine, 3,3-difluoro-;3,3-difluoro-Piperidine HCl |
| Density: | 1.089 g/cm3 |
| Boiling Point: | 114.3 °C at 760 mmHg |
| Flash Point: | 22.9 °C |
| PSA: | 12.03000 |
| LogP: | 1.33390 |
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- Total:30 Page 1 of 1 1
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Specification
The IUPAC name of this chemical is 3,3-Difluoropiperidine. With the CAS registry number 363179-66-2, it is also named as Piperidine, 3,3-difluoro-. In addition, the molecular formula is C5H9F2N and the molecular weight is 121.13. It should be stored in a cool and dry place.
Physical properties about 3,3-Difluoropiperidine are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 25.71; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 27.04 cm3; (15)Molar Volume: 111.2 cm3; (16)Polarizability: 10.72 ×10-24cm3; (17)Surface Tension: 22.9 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 22.9 °C; (20)Enthalpy of Vaporization: 35.28 kJ/mol; (21)Boiling Point: 114.3 °C at 760 mmHg; (22)Vapour Pressure: 20 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC1(F)CCCNC1
(2)InChI: InChI=1/C5H9F2N/c6-5(7)2-1-3-8-4-5/h8H,1-4H2
(3)InChIKey: UOGQPXQDNUHUIB-UHFFFAOYAB