(3-fluorophenyl)selanylmagnesium(1+) bromide

C6H4BrFMgSe — CID 139240716

IUPAC(3-fluorophenyl)selanylmagnesium(1+) bromide
SMILESFc1cccc([Se][Mg+])c1.[Br-]
InChIInChI=1S/C6H5FSe.BrH.Mg/c7-5-2-1-3-6(8)4-5;;/h1-4,8H;1H;/q;;+2/p-2
InChIKeyPAXCPJDDZXTPSN-UHFFFAOYSA-L
MW278.26 g/mol
LogP-2.76
Rot. Bonds1

About (3-fluorophenyl)selanylmagnesium(1+) bromide

(3-fluorophenyl)selanylmagnesium(1+) bromide (PubChem CID 139240716) has the molecular formula C6H4BrFMgSe and a molecular weight of 278.26 g/mol. Its IUPAC name is (3-fluorophenyl)selanylmagnesium(1+) bromide.

Molecular Properties

Compound Name(3-fluorophenyl)selanylmagnesium(1+) bromide
PubChem CID139240716
Molecular FormulaC6H4BrFMgSe
Molecular Weight278.26 g/mol
Exact Mass277.85
IUPAC Name(3-fluorophenyl)selanylmagnesium(1+) bromide
SMILESFc1cccc([Se][Mg+])c1.[Br-]
InChIInChI=1S/C6H5FSe.BrH.Mg/c7-5-2-1-3-6(8)4-5;;/h1-4,8H;1H;/q;;+2/p-2
InChIKeyPAXCPJDDZXTPSN-UHFFFAOYSA-L
XLogP-2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-2.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)selanylmagnesium(1+) bromide?
The IUPAC name of (3-fluorophenyl)selanylmagnesium(1+) bromide (CID 139240716) is (3-fluorophenyl)selanylmagnesium(1+) bromide.
What is the SMILES notation for (3-fluorophenyl)selanylmagnesium(1+) bromide?
The canonical SMILES for (3-fluorophenyl)selanylmagnesium(1+) bromide is Fc1cccc([Se][Mg+])c1.[Br-].
What is the InChIKey of (3-fluorophenyl)selanylmagnesium(1+) bromide?
The InChIKey is PAXCPJDDZXTPSN-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5FSe.BrH.Mg/c7-5-2-1-3-6(8)4-5;;/h1-4,8H;1H;/q;;+2/p-2.
What are the key properties of (3-fluorophenyl)selanylmagnesium(1+) bromide?
(3-fluorophenyl)selanylmagnesium(1+) bromide has a molecular weight of 278.26 g/mol, XLogP of -2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)selanylmagnesium(1+) bromide is sourced from PubChem (CID 139240716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).