1-(bromodifluoromethoxy)-1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethane

• ChemBase ID: 11855
• Molecular Formular: C7BrF15O2
• Molecular Mass: 480.953748
• Monoisotopic Mass: 479.88421454
• SMILES: C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)(F)F
• Canonical SMILES: FC(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)F
• InChI: InChI=1S/C7BrF15O2/c8-7(22,23)25-6(20,21)5(18,19)24-4(16,17)2(11,12)1(9,10)3(13,14)15
• InChIKey: AWVFMOQHHHUYSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromodifluoromethoxy)-1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethane
• IUPAC Traditional name: 1-(bromodifluoromethoxy)-1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethane
• Synonyms: 1-Bromoperfluoro-2,5-dioxanonane; (1-Bromo)perfluoro-2,5-dioxanonane

Database IDs

• CAS Number: 330562-46-4
• MDL Number: MFCD03094416
• PubChem SID: 160975162
• PubChem CID: 2769361

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.0047965
• LogD (pH = 7.4): 7.0047965
• Log P: 7.0047965
• Molar Refractivity: 37.1445 cm^3
• Polarizability: 19.109985 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 115°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%