1,2-bis(bromodifluoromethoxy)-1,1,2,2-tetrafluoroethane

• ChemBase ID: 94773
• Molecular Formular: C4Br2F8O2
• Molecular Mass: 391.8368256
• Monoisotopic Mass: 389.813729
• SMILES: O(C(F)(C(OC(F)(F)Br)(F)F)F)C(Br)(F)F
• Canonical SMILES: FC(C(OC(Br)(F)F)(F)F)(OC(Br)(F)F)F
• InChI: InChI=1S/C4Br2F8O2/c5-3(11,12)15-1(7,8)2(9,10)16-4(6,13)14
• InChIKey: AZSXACQJCQPNCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(bromodifluoromethoxy)-1,1,2,2-tetrafluoroethane
• IUPAC Traditional name: 1,2-bis(bromodifluoromethoxy)-1,1,2,2-tetrafluoroethane
• Synonyms: 1,2-Bis[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethane; 1,6-Dibromo-2,5-dioxaperfluorohexane

Database IDs

• CAS Number: 330562-48-6
• MDL Number: MFCD03094153
• PubChem SID: 162081427
• PubChem CID: 2778910

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.826701
• LogD (pH = 7.4): 5.826701
• Log P: 5.826701
• Molar Refractivity: 18.4004 cm^3
• Polarizability: 16.48104 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 102°C

Safety Information

• Storage Warning: Irritant