Molecular Identity
Perfluorooctyl bromide
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
PubChem CID: 9873
Perflubron is a haloalkane that is perfluorooctane in which a fluorine attached to one of the terminal carbons has been replaced by a bromine. It has a role as a radioopaque medium and a blood substitute. It is a perfluorinated compound, a haloalkane and an organobromine compound. It derives from a hydride of an octane.
2D Structure
Properties
C8BrF17
Molecular Formula
498.96
Molecular Weight
g/mol
497.8912
Exact Mass
Da
6.9
XLogP
Above Lipinski threshold
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
17
H-Bond Acceptors
527
Complexity
SMILES
Canonical SMILES
SMILES: C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)FIsomeric SMILES
SMILES: C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)FSynonyms(20)
Perflubron423-55-21-BromoperfluorooctanePerfluorooctyl bromide1-BromoheptadecafluorooctanePerfluoroctyl bromide1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctanePerfluorooctylbromidePFOBN-perfluorooctyl bromideperfluorocaprylyl bromideDTXSID5046560OCTANE, 1-BROMOHEPTADECAFLUORO-Q1D0Q7R4D9Octane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Perfluorooctyl bromide
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