2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetyl bromide

• ChemBase ID: 97528
• Molecular Formular: C5BrF9O3
• Molecular Mass: 358.9413288
• Monoisotopic Mass: 357.88870984
• SMILES: O(C(F)(F)C(F)(F)OC(C(=O)Br)(F)F)C(F)(F)F
• Canonical SMILES: BrC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5BrF9O3/c6-1(16)2(7,8)17-3(9,10)4(11,12)18-5(13,14)15
• InChIKey: UWPGPNWCEFPFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetyl bromide
• IUPAC Traditional name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetyl bromide
• Synonyms: Nonafluoro-3,6-dioxaheptanoyl bromide 97%

Database IDs

• MDL Number: MFCD00155883
• PubChem SID: 162084135
• PubChem CID: 2775821

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.676517
• LogD (pH = 7.4): 4.676517
• Log P: 4.676517
• Molar Refractivity: 35.0506 cm^3
• Polarizability: 15.256218 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive