magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride

C8H5ClF4Mg — CID 91655376

IUPACmagnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride
SMILES[CH2-]c1cc(C(F)(F)F)ccc1F.[Cl-].[Mg+2]
InChIInChI=1S/C8H5F4.ClH.Mg/c1-5-4-6(8(10,11)12)2-3-7(5)9;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyMPGVXPMHTNSNAH-UHFFFAOYSA-M
MW236.88 g/mol
LogP-0.35
Rot. Bonds

About magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride

magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride (PubChem CID 91655376) has the molecular formula C8H5ClF4Mg and a molecular weight of 236.88 g/mol. Its IUPAC name is magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride.

Molecular Properties

Compound Namemagnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride
PubChem CID91655376
Molecular FormulaC8H5ClF4Mg
Molecular Weight236.88 g/mol
Exact Mass235.99
IUPAC Namemagnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride
SMILES[CH2-]c1cc(C(F)(F)F)ccc1F.[Cl-].[Mg+2]
InChIInChI=1S/C8H5F4.ClH.Mg/c1-5-4-6(8(10,11)12)2-3-7(5)9;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyMPGVXPMHTNSNAH-UHFFFAOYSA-M
XLogP-0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.88
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;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

N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
CID 162566787
3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 169483867
2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
CID 142793986
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
sodium 1-methanidyl-4-(trifluoromethyl)benzene
CID 71382851
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide
CID 64992789
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
2-fluoro-5-(trifluoromethyl)benzenesulfonic acid;hydrochloride
CID 174972192

Frequently Asked Questions

What is the IUPAC name of magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride?
The IUPAC name of magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride (CID 91655376) is magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride.
What is the SMILES notation for magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride?
The canonical SMILES for magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride is [CH2-]c1cc(C(F)(F)F)ccc1F.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride?
The InChIKey is MPGVXPMHTNSNAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5F4.ClH.Mg/c1-5-4-6(8(10,11)12)2-3-7(5)9;;/h2-4H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride?
magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride has a molecular weight of 236.88 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-fluoro-2-methanidyl-4-(trifluoromethyl)benzene;chloride is sourced from PubChem (CID 91655376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).