magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide

C7H3BrF4Mg — CID 133143685

IUPACmagnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide
SMILES[Br-].[CH2-]c1c(F)c(F)cc(F)c1F.[Mg+2]
InChIInChI=1S/C7H3F4.BrH.Mg/c1-3-6(10)4(8)2-5(9)7(3)11;;/h2H,1H2;1H;/q-1;;+2/p-1
InChIKeyUJBFJYISLZVPLM-UHFFFAOYSA-M
MW267.30 g/mol
LogP-0.95
Rot. Bonds

About magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide

magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide (PubChem CID 133143685) has the molecular formula C7H3BrF4Mg and a molecular weight of 267.30 g/mol. Its IUPAC name is magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide
PubChem CID133143685
Molecular FormulaC7H3BrF4Mg
Molecular Weight267.30 g/mol
Exact Mass265.92
IUPAC Namemagnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide
SMILES[Br-].[CH2-]c1c(F)c(F)cc(F)c1F.[Mg+2]
InChIInChI=1S/C7H3F4.BrH.Mg/c1-3-6(10)4(8)2-5(9)7(3)11;;/h2H,1H2;1H;/q-1;;+2/p-1
InChIKeyUJBFJYISLZVPLM-UHFFFAOYSA-M
XLogP-0.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide?
The IUPAC name of magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide (CID 133143685) is magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide.
What is the SMILES notation for magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide?
The canonical SMILES for magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide is [Br-].[CH2-]c1c(F)c(F)cc(F)c1F.[Mg+2].
What is the InChIKey of magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide?
The InChIKey is UJBFJYISLZVPLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H3F4.BrH.Mg/c1-3-6(10)4(8)2-5(9)7(3)11;;/h2H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide?
magnesium;1,2,4,5-tetrafluoro-3-methanidylbenzene;bromide has a molecular weight of 267.30 g/mol, XLogP of -0.95, 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-methanidylbenzene;bromide is sourced from PubChem (CID 133143685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).