1,1,2,2,3,3-hexafluoro-1,3-diiodopropane

• ChemBase ID: 98090
• Molecular Formular: C3F6I2
• Molecular Mass: 403.8314592
• Monoisotopic Mass: 403.79936532
• SMILES: FC(C(C(F)(F)I)(F)F)(F)I
• Canonical SMILES: FC(C(I)(F)F)(C(I)(F)F)F
• InChI: InChI=1S/C3F6I2/c4-1(5,2(6,7)10)3(8,9)11
• InChIKey: WIEYKFZUVTYEIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane
• IUPAC Traditional name: 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane
• Synonyms: 1,3-Diiodo-1,1,2,2,3,3-hexafluoropropane; 1,3-Diiodoperfluoropropane

Database IDs

• CAS Number: 422-91-3
• PubChem SID: 162084555
• PubChem CID: 10916462

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1739
• LogD (pH = 7.4): 3.1739
• Log P: 3.1739
• Molar Refractivity: 43.4866 cm^3
• Polarizability: 17.496502 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -25°C
• Boiling Point: 130-131°C/760mm
• Density: 2.579
• Refractive Index: 1.4517

Safety Information

• Storage Warning: Harmful/Light Sensitive/Keep Cold