nonafluoropentanoyl bromide

• ChemBase ID: 100416
• Molecular Formular: C5BrF9O
• Molecular Mass: 326.9425288
• Monoisotopic Mass: 325.8988806
• SMILES: BrC(=O)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F
• Canonical SMILES: BrC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5BrF9O/c6-1(16)2(7,8)3(9,10)4(11,12)5(13,14)15
• InChIKey: CJRZVDYMJZXUDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonafluoropentanoyl bromide
• IUPAC Traditional name: nonafluoropentanoyl bromide
• Synonyms: Nonafluorovaleroyl bromide; Nonafluoropentanoyl bromide

Database IDs

• MDL Number: MFCD00155889
• PubChem SID: 162086568
• PubChem CID: 2775839

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6942935
• LogD (pH = 7.4): 3.6942935
• Log P: 3.6942935
• Molar Refractivity: 34.1153 cm^3
• Polarizability: 13.587618 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive