heptadecafluorononanoyl bromide

• ChemBase ID: 93566
• Molecular Formular: C9BrF17O
• Molecular Mass: 526.9725544
• Monoisotopic Mass: 525.88610636
• SMILES: FC(C(C(C(C(C(C(C(C(=O)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: BrC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9BrF17O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27
• InChIKey: UVJKQOBSOWPCAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptadecafluorononanoyl bromide
• IUPAC Traditional name: heptadecafluorononanoyl bromide
• Synonyms: Perfluorononanoyl bromide

Database IDs

• MDL Number: MFCD00155795
• PubChem SID: 162080251
• PubChem CID: 2782574

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4968643
• LogD (pH = 7.4): 6.4968643
• Log P: 6.4968643
• Molar Refractivity: 52.7873 cm^3
• Polarizability: 21.248245 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive