2,2,3,3,4,4,5,5-octafluoropentanoyl bromide

• ChemBase ID: 9889
• Molecular Formular: C5HBrF8O
• Molecular Mass: 308.9520656
• Monoisotopic Mass: 307.90830241
• SMILES: O=C(C(C(C(C(F)F)(F)F)(F)F)(F)F)Br
• Canonical SMILES: FC(C(C(C(C(=O)Br)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5HBrF8O/c6-1(15)3(9,10)5(13,14)4(11,12)2(7)8/h2H
• InChIKey: HCDUVTZKWYZNJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoropentanoyl bromide
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoropentanoyl bromide
• Synonyms: 5H-Octafluoropentanoyl bromide; 5H-Octafluorovaleroyl bromide; 5H-Octafluoropentanoyl bromide 97%

Database IDs

• CAS Number: 376-69-2
• MDL Number: MFCD00155901
• PubChem SID: 160973196
• PubChem CID: 2775872

CALCULATED PROPERTIES

• Polarizability: 13.418346 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 19.782051
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.205533
• LogD (pH = 7.4): 3.205533
• Log P: 3.205533
• Molar Refractivity: 33.2256 cm^3

PROPERTIES

Physical Property

• Boiling Point: 100-103°C

Safety Information

• Storage Warning: CORROSIVE; Corrosive
• TSCA Listed: false

Product Information

• Purity: 97%