(4ar,8ar)-octadecafluoro-decahydronaphthalene

• ChemBase ID: 98678
• Molecular Formular: C10F18
• Molecular Mass: 462.0782576
• Monoisotopic Mass: 461.97125796
• SMILES: FC1(C([C@]2(F)C(C(F)(C(C([C@@]2(F)C(C1(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)F
• Canonical SMILES: F[C@]12[C@](F)(C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16/t1-,2-
• InChIKey: UWEYRJFJVCLAGH-IJWZVTFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4ar,8ar)-octadecafluoro-decahydronaphthalene
• IUPAC Traditional name: perfluorodecalin
• Synonyms: Flutec PP6; F-Decalin; Perfluanfene; Perfluorodecalin; cis-Perfluorodecalin 96%

Database IDs

• CAS Number: 306-94-5; 60433-11-6
• MDL Number: MFCD00153231
• PubChem SID: 162085064
• PubChem CID: 9386
• Unique Ingredient Identifier: 54A06VV62N
• Wikipedia Title: Perfluorodecalin

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.802668
• LogD (pH = 7.4): 5.802668
• Log P: 5.802668
• Molar Refractivity: 43.695 cm^3
• Polarizability: 18.245485 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 10 ppm in water
• Apperance: Clear, colorless liquid
• Boiling Point: 142°C
• Flash Point: None
• Auto Ignition Point: None
• Density: 1.917

Safety Information

• Storage Warning: Irritant
• Main Hazard: None