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4-(3,5-Difluorophenyl)piperidine

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Name

4-(3,5-Difluorophenyl)piperidine

EINECS N/A
CAS No. 412310-88-4 Density 1.126g/cm3
PSA 12.03000 LogP 2.76060
Solubility N/A Melting Point N/A
Formula C11H13F2N Boiling Point 245.058 °C at 760 mmHg
Molecular Weight 197.22 Flash Point 102.008 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 412310-88-4 (4-(3,5-Difluoro-phenyl)-piperidine) Hazard Symbols N/A
Synonyms

4-(3,5-Difluorophenyl)piperidine;

 

4-(3,5-Difluorophenyl)piperidine Specification

The 4-(3,5-Difluorophenyl)piperidine with cas registry number of 412310-88-4, its systematic name is 4-(3,5-difluorophenyl)piperidine. And it is also named piperidine, 4-(3,5-difluorophenyl)-; 4-(3,5-Difluorophenyl)piperidine hydrochloride.

Physical properties about this chemical are: (1)ACD/LogP: 1.84; (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: 1; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.492; (12)Molar Refractivity: 50.839 cm3; (13)Molar Volume: 175.091 cm3; (14)Polarizability: 20.154×10-24cm3; (15)Surface Tension: 33.317 dyne/cm; (16)Enthalpy of Vaporization: 48.213 kJ/mol; (17)Vapour Pressure: 0.029 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES:c1c(cc(cc1F)F)C2CCNCC2;
(2)InChI:InChI=1/C11H13F2N/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2;
(3)InChIKey:YTQCWZFTGGZZDZ-UHFFFAOYAF;
(4)Std. InChI:InChI=1S/C11H13F2N/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2;
(5)Std. InChIKey:YTQCWZFTGGZZDZ-UHFFFAOYSA-N.

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