magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride

C8H8ClFMg — CID 24722704

IUPACmagnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride
SMILES[CH2-]c1ccc(F)cc1C.[Cl-].[Mg+2]
InChIInChI=1S/C8H8F.ClH.Mg/c1-6-3-4-8(9)5-7(6)2;;/h3-5H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyYEOKLXGFOHYPIN-UHFFFAOYSA-M
MW182.91 g/mol
LogP-1.06
Rot. Bonds

About magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride

magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride (PubChem CID 24722704) has the molecular formula C8H8ClFMg and a molecular weight of 182.91 g/mol. Its IUPAC name is magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride
PubChem CID24722704
Molecular FormulaC8H8ClFMg
Molecular Weight182.91 g/mol
Exact Mass182.01
IUPAC Namemagnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride
SMILES[CH2-]c1ccc(F)cc1C.[Cl-].[Mg+2]
InChIInChI=1S/C8H8F.ClH.Mg/c1-6-3-4-8(9)5-7(6)2;;/h3-5H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyYEOKLXGFOHYPIN-UHFFFAOYSA-M
XLogP-1.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.91
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride?
The IUPAC name of magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride (CID 24722704) is magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride.
What is the SMILES notation for magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride?
The canonical SMILES for magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride is [CH2-]c1ccc(F)cc1C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride?
The InChIKey is YEOKLXGFOHYPIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F.ClH.Mg/c1-6-3-4-8(9)5-7(6)2;;/h3-5H,1H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride?
magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride has a molecular weight of 182.91 g/mol, XLogP of -1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride is sourced from PubChem (CID 24722704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).