magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide

C6HBr3F4Mg — CID 175033297

IUPACmagnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
SMILESFc1cc(F)c(F)c(Br)c1F.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C6HBrF4.2BrH.Mg/c7-4-5(10)2(8)1-3(9)6(4)11;;;/h1H;2*1H;/q;;;+2/p-2
InChIKeyDWLJBPZTTRVYGJ-UHFFFAOYSA-L
MW413.08 g/mol
LogP-3.37
Rot. Bonds

About magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide

magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide (PubChem CID 175033297) has the molecular formula C6HBr3F4Mg and a molecular weight of 413.08 g/mol. Its IUPAC name is magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide.

Molecular Properties

Compound Namemagnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
PubChem CID175033297
Molecular FormulaC6HBr3F4Mg
Molecular Weight413.08 g/mol
Exact Mass409.74
IUPAC Namemagnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
SMILESFc1cc(F)c(F)c(Br)c1F.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C6HBrF4.2BrH.Mg/c7-4-5(10)2(8)1-3(9)6(4)11;;;/h1H;2*1H;/q;;;+2/p-2
InChIKeyDWLJBPZTTRVYGJ-UHFFFAOYSA-L
XLogP-3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.08
LogP ≤ 5-3.37
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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Related Compounds

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CID 146309479
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(3-bromo-2,4,5-trifluorophenyl)boronic acid
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CID 168531130
3-bromo-2,4,5-trifluorobenzoic acid
CID 2783246
3-bromo-1,2-dichloro-4,5-difluorobenzene
CID 51000174
2,6-dibromo-3,4-difluorophenol
CID 84814133
2-(3-bromo-2,4,5-trifluorophenyl)propan-2-amine
CID 117111939
1,2-dibromo-4,5-difluoro-3-(trifluoromethylsulfanyl)benzene
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CID 172801487
CID 172801487

Frequently Asked Questions

What is the IUPAC name of magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide?
The IUPAC name of magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide (CID 175033297) is magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide.
What is the SMILES notation for magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide?
The canonical SMILES for magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide is Fc1cc(F)c(F)c(Br)c1F.[Br-].[Br-].[Mg+2].
What is the InChIKey of magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide?
The InChIKey is DWLJBPZTTRVYGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6HBrF4.2BrH.Mg/c7-4-5(10)2(8)1-3(9)6(4)11;;;/h1H;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide?
magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide has a molecular weight of 413.08 g/mol, XLogP of -3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide is sourced from PubChem (CID 175033297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).