heptafluorobutanoyl bromide

• ChemBase ID: 99247
• Molecular Formular: C4BrF7O
• Molecular Mass: 276.9350224
• Monoisotopic Mass: 275.90207416
• SMILES: FC(F)(C(F)(F)C(C(=O)Br)(F)F)F
• Canonical SMILES: BrC(=O)C(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C4BrF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
• InChIKey: PJYLUIOQPJDGIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptafluorobutanoyl bromide
• IUPAC Traditional name: heptafluorobutanoyl bromide
• Synonyms: Heptafluorobutyryl bromide 97%

Database IDs

• MDL Number: MFCD00155814
• PubChem SID: 162085533
• PubChem CID: 2774900

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9936507
• LogD (pH = 7.4): 2.9936507
• Log P: 2.9936507
• Molar Refractivity: 29.4473 cm^3
• Polarizability: 11.675263 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Lachrymatory