tridecafluoroheptanoyl bromide

• ChemBase ID: 99015
• Molecular Formular: C7BrF13O
• Molecular Mass: 426.9575416
• Monoisotopic Mass: 425.89249348
• SMILES: FC(C(C(C(C(C(C(=O)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: BrC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7BrF13O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
• InChIKey: KQMDGCKMRBEXNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecafluoroheptanoyl bromide
• IUPAC Traditional name: tridecafluoroheptanoyl bromide
• Synonyms: Perfluoroheptanoyl bromide

Database IDs

• CAS Number: 159623-34-4
• MDL Number: MFCD00156012
• PubChem SID: 162085317
• PubChem CID: 2776129

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.095579
• LogD (pH = 7.4): 5.095579
• Log P: 5.095579
• Molar Refractivity: 43.4513 cm^3
• Polarizability: 17.416489 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive