magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide

C6HF4I3Mg — CID 175079415

IUPACmagnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide
SMILESFc1cc(F)c(F)c(I)c1F.[I-].[I-].[Mg+2]
InChIInChI=1S/C6HF4I.2HI.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;;/h1H;2*1H;/q;;;+2/p-2
InChIKeyQRFAATKFUAUVPC-UHFFFAOYSA-L
MW554.08 g/mol
LogP-3.53
Rot. Bonds

About magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide

magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide (PubChem CID 175079415) has the molecular formula C6HF4I3Mg and a molecular weight of 554.08 g/mol. Its IUPAC name is magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide.

Molecular Properties

Compound Namemagnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide
PubChem CID175079415
Molecular FormulaC6HF4I3Mg
Molecular Weight554.08 g/mol
Exact Mass553.70
IUPAC Namemagnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide
SMILESFc1cc(F)c(F)c(I)c1F.[I-].[I-].[Mg+2]
InChIInChI=1S/C6HF4I.2HI.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;;/h1H;2*1H;/q;;;+2/p-2
InChIKeyQRFAATKFUAUVPC-UHFFFAOYSA-L
XLogP-3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.08
LogP ≤ 5-3.53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
CID 172801487
CID 172801487
magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide
CID 133143685
magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
CID 175033297
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
2-amino-4,5-difluoro-3-iodobenzonitrile
CID 170358425
1-bromo-3-chloro-4,5-difluoro-2-iodobenzene
CID 53256791
1,2,4,5-tetrafluorobenzene;zinc
CID 174910497
phosphane;1,3,5-trifluoro-2-iodobenzene
CID 175314660
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
2,4-difluoro-3,6-diiodophenol
CID 156656919
boric acid;1,2,3,4,5-pentafluorobenzene;silver
CID 159886582

Frequently Asked Questions

What is the IUPAC name of magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide?
The IUPAC name of magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide (CID 175079415) is magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide.
What is the SMILES notation for magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide?
The canonical SMILES for magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide is Fc1cc(F)c(F)c(I)c1F.[I-].[I-].[Mg+2].
What is the InChIKey of magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide?
The InChIKey is QRFAATKFUAUVPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C6HF4I.2HI.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;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide?
magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide has a molecular weight of 554.08 g/mol, XLogP of -3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide is sourced from PubChem (CID 175079415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).