magnesium;1,2,3,4,5-pentafluorobenzene;dibromide

C6HBr2F5Mg — CID 157145782

IUPACmagnesium;1,2,3,4,5-pentafluorobenzene;dibromide
SMILESFc1cc(F)c(F)c(F)c1F.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C6HF5.2BrH.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;;/h1H;2*1H;/q;;;+2/p-2
InChIKeyAKRNJVBIJKZYBA-UHFFFAOYSA-L
MW352.18 g/mol
LogP-3.99
Rot. Bonds

About magnesium;1,2,3,4,5-pentafluorobenzene;dibromide

magnesium;1,2,3,4,5-pentafluorobenzene;dibromide (PubChem CID 157145782) has the molecular formula C6HBr2F5Mg and a molecular weight of 352.18 g/mol. Its IUPAC name is magnesium;1,2,3,4,5-pentafluorobenzene;dibromide.

Molecular Properties

Compound Namemagnesium;1,2,3,4,5-pentafluorobenzene;dibromide
PubChem CID157145782
Molecular FormulaC6HBr2F5Mg
Molecular Weight352.18 g/mol
Exact Mass349.82
IUPAC Namemagnesium;1,2,3,4,5-pentafluorobenzene;dibromide
SMILESFc1cc(F)c(F)c(F)c1F.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C6HF5.2BrH.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;;/h1H;2*1H;/q;;;+2/p-2
InChIKeyAKRNJVBIJKZYBA-UHFFFAOYSA-L
XLogP-3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 5-3.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,2,3,4,5-pentafluorobenzene;dibromide?
The IUPAC name of magnesium;1,2,3,4,5-pentafluorobenzene;dibromide (CID 157145782) is magnesium;1,2,3,4,5-pentafluorobenzene;dibromide.
What is the SMILES notation for magnesium;1,2,3,4,5-pentafluorobenzene;dibromide?
The canonical SMILES for magnesium;1,2,3,4,5-pentafluorobenzene;dibromide is Fc1cc(F)c(F)c(F)c1F.[Br-].[Br-].[Mg+2].
What is the InChIKey of magnesium;1,2,3,4,5-pentafluorobenzene;dibromide?
The InChIKey is AKRNJVBIJKZYBA-UHFFFAOYSA-L. The full InChI is InChI=1S/C6HF5.2BrH.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;;/h1H;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;1,2,3,4,5-pentafluorobenzene;dibromide?
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide has a molecular weight of 352.18 g/mol, XLogP of -3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2,3,4,5-pentafluorobenzene;dibromide is sourced from PubChem (CID 157145782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).