2-bromo-2,3,3,3-tetrafluoropropanoyl bromide

• ChemBase ID: 94290
• Molecular Formular: C3Br2F4O
• Molecular Mass: 287.8331128
• Monoisotopic Mass: 285.8252015
• SMILES: BrC(=O)C(C(F)(F)F)(F)Br
• Canonical SMILES: BrC(=O)C(C(F)(F)F)(Br)F
• InChI: InChI=1S/C3Br2F4O/c4-1(10)2(5,6)3(7,8)9
• InChIKey: UOXZNFHPGQEABB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-2,3,3,3-tetrafluoropropanoyl bromide
• IUPAC Traditional name: 2-bromo-2,3,3,3-tetrafluoropropanoyl bromide
• Synonyms: 2-Bromo-2,3,3,3-tetrafluoropropanoyl bromide 97%

Database IDs

• CAS Number: 41874-81-1
• MDL Number: MFCD00153722
• PubChem SID: 162080944
• PubChem CID: 2736381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6881156
• LogD (pH = 7.4): 2.6881156
• Log P: 2.6881156
• Molar Refractivity: 32.5144 cm^3
• Polarizability: 12.898312 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 88°C

Safety Information

• Storage Warning: Corrosive