1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane

• ChemBase ID: 94681
• Molecular Formular: C6H2Br2F10O
• Molecular Mass: 439.871512
• Monoisotopic Mass: 437.83127088
• SMILES: O(C(C(C(F)(F)F)(Br)F)(Br)F)CC(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(COC(C(C(F)(F)F)(Br)F)(Br)F)(F)F)(F)F
• InChI: InChI=1S/C6H2Br2F10O/c7-3(11,6(16,17)18)4(8,12)19-1-2(9,10)5(13,14)15/h1H2
• InChIKey: XLBTXLUOMWOOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane
• IUPAC Traditional name: 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3,3-pentafluoropropoxy)propane
• Synonyms: 2,3-Dibromo-4-oxa-5H,5H-decafluoroheptane; 1,2-Dibromopentafluoropropyl 2,2,3,3,3-pentafluoropropyl ether

Database IDs

• MDL Number: MFCD03094147
• PubChem SID: 162081335
• PubChem CID: 2778205

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.889454
• LogD (pH = 7.4): 4.889454
• Log P: 4.889454
• Molar Refractivity: 49.1922 cm^3
• Polarizability: 19.118048 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant