1,1,1,5,5,5-hexafluoro-4-({[(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one

• ChemBase ID: 97027
• Molecular Formular: C10H2F12MnO4
• Molecular Mass: 469.0393674
• Monoisotopic Mass: 468.91419228
• SMILES: FC(F)(C(=O)/C=C(\C(F)(F)F)/O[Mn]O/C(=C\C(=O)C(F)(F)F)/C(F)(F)F)F
• Canonical SMILES: O=C(C(F)(F)F)/C=C(\C(F)(F)F)/O[Mn]O/C(=C\C(=O)C(F)(F)F)/C(F)(F)F
• InChI: InChI=1S/2C5H2F6O2.Mn/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2
• InChIKey: CFMUSUSAXOVNOD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,5,5,5-hexafluoro-4-({[(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 1,1,1,5,5,5-hexafluoro-4-({[(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
• Synonyms: Hexafluoroacetylacetonato manganese(II); Manganese(II) hexafluoroacetylacetonate 97%

Database IDs

• CAS Number: 19648-86-3
• MDL Number: MFCD00042513
• PubChem SID: 162083655
• PubChem CID: 44717449

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7422
• LogD (pH = 7.4): 3.7422
• Log P: 3.7422
• Molar Refractivity: 58.2732 cm^3
• Polarizability: 23.396788 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant