dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide

C8H6ClFK2 — CID 177360349

IUPACdipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide
SMILESF[CH-]c1[c-]c(CCl)ccc1.[K+].[K+]
InChIInChI=1S/C8H6ClF.2K/c9-5-7-2-1-3-8(4-7)6-10;;/h1-3,6H,5H2;;/q-2;2*+1
InChIKeyWADHNKFMZMIQOB-UHFFFAOYSA-N
MW234.78 g/mol
LogP-3.29
Rot. Bonds2

About dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide

dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide (PubChem CID 177360349) has the molecular formula C8H6ClFK2 and a molecular weight of 234.78 g/mol. Its IUPAC name is dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide.

Molecular Properties

Compound Namedipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide
PubChem CID177360349
Molecular FormulaC8H6ClFK2
Molecular Weight234.78 g/mol
Exact Mass233.94
IUPAC Namedipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide
SMILESF[CH-]c1[c-]c(CCl)ccc1.[K+].[K+]
InChIInChI=1S/C8H6ClF.2K/c9-5-7-2-1-3-8(4-7)6-10;;/h1-3,6H,5H2;;/q-2;2*+1
InChIKeyWADHNKFMZMIQOB-UHFFFAOYSA-N
XLogP-3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.78
LogP ≤ 5-3.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide 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 dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide?
The IUPAC name of dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide (CID 177360349) is dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide.
What is the SMILES notation for dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide?
The canonical SMILES for dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide is F[CH-]c1[c-]c(CCl)ccc1.[K+].[K+].
What is the InChIKey of dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide?
The InChIKey is WADHNKFMZMIQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF.2K/c9-5-7-2-1-3-8(4-7)6-10;;/h1-3,6H,5H2;;/q-2;2*+1.
What are the key properties of dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide?
dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide has a molecular weight of 234.78 g/mol, XLogP of -3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide is sourced from PubChem (CID 177360349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).