(4as,8as)-octadecafluoro-decahydronaphthalene

• ChemBase ID: 98679
• 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-XIXRPRMCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4as,8as)-octadecafluoro-decahydronaphthalene
• IUPAC Traditional name: (4as,8as)-octadecafluoronaphthalene
• Synonyms: trans-Perfluorodecalin 96%

Database IDs

• MDL Number: MFCD00153232
• PubChem SID: 162085065
• PubChem CID: 9386

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