zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride

C8H8ClFZn — CID 57372146

IUPACzinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride
SMILES[CH2-]c1cccc(F)c1C.[Cl-].[Zn+2]
InChIInChI=1S/C8H8F.ClH.Zn/c1-6-4-3-5-8(9)7(6)2;;/h3-5H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyGIMREOLKLNZNMG-UHFFFAOYSA-M
MW223.99 g/mol
LogP-0.68
Rot. Bonds

About zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride

zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride (PubChem CID 57372146) has the molecular formula C8H8ClFZn and a molecular weight of 223.99 g/mol. Its IUPAC name is zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride.

Molecular Properties

Compound Namezinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride
PubChem CID57372146
Molecular FormulaC8H8ClFZn
Molecular Weight223.99 g/mol
Exact Mass221.96
IUPAC Namezinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride
SMILES[CH2-]c1cccc(F)c1C.[Cl-].[Zn+2]
InChIInChI=1S/C8H8F.ClH.Zn/c1-6-4-3-5-8(9)7(6)2;;/h3-5H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKeyGIMREOLKLNZNMG-UHFFFAOYSA-M
XLogP-0.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.99
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride?
The IUPAC name of zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride (CID 57372146) is zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride.
What is the SMILES notation for zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride?
The canonical SMILES for zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride is [CH2-]c1cccc(F)c1C.[Cl-].[Zn+2].
What is the InChIKey of zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride?
The InChIKey is GIMREOLKLNZNMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F.ClH.Zn/c1-6-4-3-5-8(9)7(6)2;;/h3-5H,1H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride?
zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride has a molecular weight of 223.99 g/mol, XLogP of -0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride is sourced from PubChem (CID 57372146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).