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Perflubron

C8BrF17 — CID 9873

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIInChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
InChIKeyWTWWXOGTJWMJHI-UHFFFAOYSA-N
MW498.96 g/mol
LogP6.35
Rot. Bonds6

About Perflubron

Perflubron (PubChem CID 9873) has the molecular formula C8BrF17 and a molecular weight of 498.96 g/mol. Its IUPAC name is 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane.

Molecular Properties

Compound NamePerflubron
PubChem CID9873
Molecular FormulaC8BrF17
Molecular Weight498.96 g/mol
Exact Mass497.89
IUPAC Name1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIInChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
InChIKeyWTWWXOGTJWMJHI-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.96
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluorodecyl bromide
CID 9389
Nonadecafluorononyl Bromide
CID 2776260
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
CID 14993428
Perfluoroundecyl bromide
CID 14993427
1,8-Dibromoperfluorooctane
CID 2736786
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluorotetradecane
CID 14993429
1-Bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane
CID 54014587
10-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,9,9,10,10-icosafluorodecane
CID 54099434
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane
CID 54173086
8-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane
CID 71344329

Frequently Asked Questions

What is the IUPAC name of Perflubron?
The IUPAC name of Perflubron (CID 9873) is 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane.
What is the SMILES notation for Perflubron?
The canonical SMILES for Perflubron is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br.
What is the InChIKey of Perflubron?
The InChIKey is WTWWXOGTJWMJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26.
What are the key properties of Perflubron?
Perflubron has a molecular weight of 498.96 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Perflubron is sourced from PubChem (CID 9873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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