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

C8H8ClFMg — CID 24722703

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

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

magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride (PubChem CID 24722703) has the molecular formula C8H8ClFMg and a molecular weight of 182.91 g/mol. Its IUPAC name is magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride
PubChem CID24722703
Molecular FormulaC8H8ClFMg
Molecular Weight182.91 g/mol
Exact Mass182.01
IUPAC Namemagnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride
SMILES[CH2-]c1ccc(C)c(F)c1.[Cl-].[Mg+2]
InChIInChI=1S/C8H8F.ClH.Mg/c1-6-3-4-7(2)8(9)5-6;;/h3-5H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyXHOWHMXHSXQTDX-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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Related Compounds

magnesium;1,2-difluoro-4-methanidylbenzene;bromide
CID 6093575
CID 59347030
CID 59347030
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037

Frequently Asked Questions

What is the IUPAC name of magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride?
The IUPAC name of magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride (CID 24722703) is magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride.
What is the SMILES notation for magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride?
The canonical SMILES for magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride is [CH2-]c1ccc(C)c(F)c1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride?
The InChIKey is XHOWHMXHSXQTDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F.ClH.Mg/c1-6-3-4-7(2)8(9)5-6;;/h3-5H,1H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride?
magnesium;2-fluoro-4-methanidyl-1-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;2-fluoro-4-methanidyl-1-methylbenzene;chloride is sourced from PubChem (CID 24722703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).