magnesium;1,3-difluoro-5-methanidylbenzene;chloride

C7H5ClF2Mg — CID 89350621

IUPACmagnesium;1,3-difluoro-5-methanidylbenzene;chloride
SMILES[CH2-]c1cc(F)cc(F)c1.[Cl-].[Mg+2]
InChIInChI=1S/C7H5F2.ClH.Mg/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyXKCHLEFZYRHECB-UHFFFAOYSA-M
MW186.87 g/mol
LogP-1.23
Rot. Bonds

About magnesium;1,3-difluoro-5-methanidylbenzene;chloride

magnesium;1,3-difluoro-5-methanidylbenzene;chloride (PubChem CID 89350621) has the molecular formula C7H5ClF2Mg and a molecular weight of 186.87 g/mol. Its IUPAC name is magnesium;1,3-difluoro-5-methanidylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;1,3-difluoro-5-methanidylbenzene;chloride
PubChem CID89350621
Molecular FormulaC7H5ClF2Mg
Molecular Weight186.87 g/mol
Exact Mass185.99
IUPAC Namemagnesium;1,3-difluoro-5-methanidylbenzene;chloride
SMILES[CH2-]c1cc(F)cc(F)c1.[Cl-].[Mg+2]
InChIInChI=1S/C7H5F2.ClH.Mg/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyXKCHLEFZYRHECB-UHFFFAOYSA-M
XLogP-1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.87
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;1,3-difluoro-5-methanidylbenzene;chloride with MolForge

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

Launch Full Analysis

Related Compounds

bromozinc(1+);1,3-difluoro-5-methanidylbenzene
CID 6093581
1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+)
CID 76522389
1-chloro-3,5-difluorobenzene
CID 159732874
3,5-difluorophenol
CID 159284632
potassium;1-fluoro-3-methanidylbenzene;trifluoroborane
CID 175220113
magnesium;2-fluoro-4-methanidyl-1-methylbenzene;chloride
CID 24722703
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
acetic acid;1,3,5-trifluorobenzene
CID 162178148
dichlorozinc;1,3-difluoro-5-methylbenzene
CID 174706993
3,5-difluorobenzenethiol;methane;dihydrochloride
CID 174757194
1-(disulfanyl)-3,5-difluorobenzene
CID 87425076
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555

Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-difluoro-5-methanidylbenzene;chloride?
The IUPAC name of magnesium;1,3-difluoro-5-methanidylbenzene;chloride (CID 89350621) is magnesium;1,3-difluoro-5-methanidylbenzene;chloride.
What is the SMILES notation for magnesium;1,3-difluoro-5-methanidylbenzene;chloride?
The canonical SMILES for magnesium;1,3-difluoro-5-methanidylbenzene;chloride is [CH2-]c1cc(F)cc(F)c1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1,3-difluoro-5-methanidylbenzene;chloride?
The InChIKey is XKCHLEFZYRHECB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F2.ClH.Mg/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-difluoro-5-methanidylbenzene;chloride?
magnesium;1,3-difluoro-5-methanidylbenzene;chloride has a molecular weight of 186.87 g/mol, XLogP of -1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-difluoro-5-methanidylbenzene;chloride is sourced from PubChem (CID 89350621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).