hexadecafluoroadamantane

• ChemBase ID: 94126
• Molecular Formular: C10F16
• Molecular Mass: 424.0814512
• Monoisotopic Mass: 423.97445152
• SMILES: FC12C(C3(C(C(C1(F)F)(F)C(C(C3(F)F)(C2(F)F)F)(F)F)(F)F)F)(F)F
• Canonical SMILES: FC12C(F)(F)C3(F)C(C(C2(F)F)(C(C(C1(F)F)(C3(F)F)F)(F)F)F)(F)F
• InChI: InChI=1S/C10F16/c11-1-5(15,16)2(12)8(21,22)3(13,6(1,17)18)10(25,26)4(14,7(1,19)20)9(2,23)24
• InChIKey: FRZFEPXEUZSBLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecafluoroadamantane
• IUPAC Traditional name: perfluoroadamantane
• Synonyms: Hexadecafluoroadamantane; Perfluoroadamantane 99%

Database IDs

• MDL Number: MFCD00971632
• PubChem SID: 162080781
• PubChem CID: 64478

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5989084
• LogD (pH = 7.4): 4.5989084
• Log P: 4.5989084
• Molar Refractivity: 40.71 cm^3
• Polarizability: 17.316717 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant