magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide

C8H2BrF17Mg — CID 175316983

About magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide

magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide (PubChem CID 175316983) has the molecular formula C8H2BrF17Mg and a molecular weight of 525.28 g/mol. Its IUPAC name is magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide.

Molecular Properties

• Compound Name: magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide
• PubChem CID: 175316983
• Molecular Formula: C8H2BrF17Mg
• Molecular Weight: 525.28 g/mol
• Exact Mass: 523.89
• IUPAC Name: magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide
• SMILES: Br.F[C-](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F.[F-].[Mg+2]
• InChI: InChI=1S/C8HF16.BrH.FH.Mg/c9-1(5(16,17)18)3(12,13)6(19,20)8(23,24)7(21,22)4(14,15)2(10)11;;;/h1H;2*1H;/q-1;;;+2/p-1
• InChIKey: RPMYJUQUFXANDA-UHFFFAOYSA-M
• XLogP: 2.69
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.28
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide?

The IUPAC name of magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide (CID 175316983) is magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide.

What is the SMILES notation for magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide?

The canonical SMILES for magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide is Br.F[C-](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F.[F-].[Mg+2].

What is the InChIKey of magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide?

The InChIKey is RPMYJUQUFXANDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8HF16.BrH.FH.Mg/c9-1(5(16,17)18)3(12,13)6(19,20)8(23,24)7(21,22)4(14,15)2(10)11;;;/h1H;2*1H;/q-1;;;+2/p-1.

What are the key properties of magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide?

magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide has a molecular weight of 525.28 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;fluoride;hydrobromide is sourced from PubChem (CID 175316983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).