Name: Methylcyclohexyl piperidine perfluoride
SKU: 86630-50-4

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Basic Information

Molecular Structure:
CAS No.:	86630-50-4
Name:	Methylcyclohexyl piperidine perfluoride

Formula:	C₁₂F₂₃N
Molecular Weight:	595.102
Synonyms:	Piperidine, 1-(1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl)-2,2,3,3,4,4,5,5,6,6-decafluoro-;1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6,6-decafluoro-piperidine;MCPPF;
Density:	1.88 g/cm³
Boiling Point:	172.2 °C at 760 mmHg
Flash Point:	58 °C
PSA:	3.24000
LogP:	6.82260

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Specification

The Methylcyclohexyl piperidine perfluoride, with the CAS registry number 86630-50-4, is also known as Piperidine, 1-(1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl)-2,2,3,3,4,4,5,5,6,6-decafluoro-. This chemical's molecular formula is C₁₂F₂₃N and molecular weight is 595.098. What's more, its systematic name is 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine.

Physical properties of Methylcyclohexyl piperidine perfluoride are: (1)ACD/LogP: 7.07; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.07; (4)ACD/BCF (pH 5.5): 139824.31; (5)ACD/KOC (pH 5.5): 167797.63; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 3.24 Å²; (10)Index of Refraction: 1.306; (11)Molar Refractivity: 60.24 cm³; (12)Molar Volume: 315.6 cm³; (13)Polarizability: 23.88×10^-24cm³; (14)Surface Tension: 17.2 dyne/cm; (15)Density: 1.88 g/cm³; (16)Flash Point: 58 °C; (17)Enthalpy of Vaporization: 40.86 kJ/mol; (18)Boiling Point: 172.2 °C at 760 mmHg; (19)Vapour Pressure: 1.34 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)C2(F)F
(2)InChI: InChI=1S/C12F23N/c13-1(10(29,30)31)2(14,15)5(20,21)9(28,6(22,23)3(1,16)17)36-11(32,33)7(24,25)4(18,19)8(26,27)12(36,34)35
(3)InChIKey: WDWGWHKCNGASHA-UHFFFAOYSA-N