2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl bromide

• ChemBase ID: 93587
• Molecular Formular: C6BrF11O2
• Molecular Mass: 392.9494352
• Monoisotopic Mass: 391.89060166
• SMILES: O(C(C(F)(C(F)(F)F)F)(F)F)C(C(=O)Br)(F)C(F)(F)F
• Canonical SMILES: BrC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6BrF11O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
• InChIKey: VGIQWXOXDRXVKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl bromide
• IUPAC Traditional name: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl bromide
• Synonyms: Perfluoro(2-methyl-3-oxahexanoyl) bromide

Database IDs

• MDL Number: MFCD00155945
• PubChem SID: 162080272
• PubChem CID: 2782596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6796813
• LogD (pH = 7.4): 4.6796813
• Log P: 4.6796813
• Molar Refractivity: 41.5946 cm^3
• Polarizability: 16.335865 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Irritant/Moisture Sensitive