bis(heptafluoropropan-2-yl)mercury

• ChemBase ID: 93252
• Molecular Formular: C6F14Hg
• Molecular Mass: 538.6318448
• Monoisotopic Mass: 539.94828808
• SMILES: [Hg](C(C(F)(F)F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C(F)(F)F)(C(F)(F)F)[Hg]C(C(F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/2C3F7.Hg/c2*4-1(2(5,6)7)3(8,9)10
• InChIKey: HWWMRIRERNSEIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(heptafluoropropan-2-yl)mercury
• IUPAC Traditional name: bis(heptafluoropropan-2-yl)mercury
• Synonyms: Bis(heptafluoroisopropyl)mercury

Database IDs

• CAS Number: 756-88-7
• MDL Number: MFCD01075251
• PubChem SID: 162079937
• PubChem CID: 2736035

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0382
• LogD (pH = 7.4): 6.0382
• Log P: 6.0382
• Molar Refractivity: 32.0846 cm^3
• Polarizability: 20.388525 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 116°C/740mm

Safety Information

• Storage Warning: Highly Toxic/Irritant