magnesium;hydride;1,2,4-trifluorobenzene

C6H5F3Mg — CID 174647436

IUPACmagnesium;hydride;1,2,4-trifluorobenzene
SMILESFc1ccc(F)c(F)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H3F3.Mg.2H/c7-4-1-2-5(8)6(9)3-4;;;/h1-3H;;;/q;+2;2*-1
InChIKeyLZZPUUCBMJPYGC-UHFFFAOYSA-N
MW158.41 g/mol
LogP1.95
Rot. Bonds

About magnesium;hydride;1,2,4-trifluorobenzene

magnesium;hydride;1,2,4-trifluorobenzene (PubChem CID 174647436) has the molecular formula C6H5F3Mg and a molecular weight of 158.41 g/mol. Its IUPAC name is magnesium;hydride;1,2,4-trifluorobenzene.

Molecular Properties

Compound Namemagnesium;hydride;1,2,4-trifluorobenzene
PubChem CID174647436
Molecular FormulaC6H5F3Mg
Molecular Weight158.41 g/mol
Exact Mass158.02
IUPAC Namemagnesium;hydride;1,2,4-trifluorobenzene
SMILESFc1ccc(F)c(F)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H3F3.Mg.2H/c7-4-1-2-5(8)6(9)3-4;;;/h1-3H;;;/q;+2;2*-1
InChIKeyLZZPUUCBMJPYGC-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;hydride;1,2,4-trifluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;1,2,4-trifluorobenzene?
The IUPAC name of magnesium;hydride;1,2,4-trifluorobenzene (CID 174647436) is magnesium;hydride;1,2,4-trifluorobenzene.
What is the SMILES notation for magnesium;hydride;1,2,4-trifluorobenzene?
The canonical SMILES for magnesium;hydride;1,2,4-trifluorobenzene is Fc1ccc(F)c(F)c1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;1,2,4-trifluorobenzene?
The InChIKey is LZZPUUCBMJPYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3.Mg.2H/c7-4-1-2-5(8)6(9)3-4;;;/h1-3H;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;1,2,4-trifluorobenzene?
magnesium;hydride;1,2,4-trifluorobenzene has a molecular weight of 158.41 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;1,2,4-trifluorobenzene is sourced from PubChem (CID 174647436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).