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Methylcyclohexyl piperidine perfluoride

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  • Name Methylcyclohexyl piperidine perfluoride
  • EINECSN/A
  • CAS No. 86630-50-4
  • Density1.88 g/cm3
  • PSA3.24000
  • LogP6.82260
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12F23N
  • Boiling Point172.2 °C at 760 mmHg
  • Molecular Weight595.102
  • Flash Point58 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 86630-50-4 (Methylcyclohexyl piperidine perfluoride)
  • Hazard SymbolsN/A
  • SynonymsN/A

Methylcyclohexyl piperidine perfluoride 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

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