1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+)

C7H5Cl2FZn — CID 76522389

IUPAC—
SMILES[CH2-]c1cc(F)cc(Cl)c1.[Cl-].[Zn+2]
InChIInChI=1S/C7H5ClF.ClH.Zn/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyUKTWCFURFGPWJS-UHFFFAOYSA-M
MW244.41 g/mol
LogP-0.34
Rot. Bonds

About 1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+)

1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+) (PubChem CID 76522389) has the molecular formula C7H5Cl2FZn and a molecular weight of 244.41 g/mol.

Molecular Properties

Compound Name1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+)
PubChem CID76522389
Molecular FormulaC7H5Cl2FZn
Molecular Weight244.41 g/mol
Exact Mass241.90
IUPAC Name—
SMILES[CH2-]c1cc(F)cc(Cl)c1.[Cl-].[Zn+2]
InChIInChI=1S/C7H5ClF.ClH.Zn/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyUKTWCFURFGPWJS-UHFFFAOYSA-M
XLogP-0.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 5-0.34
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 1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+)?
The IUPAC name of 1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+) (CID 76522389) is not available.
What is the SMILES notation for 1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+)?
The canonical SMILES for 1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+) is [CH2-]c1cc(F)cc(Cl)c1.[Cl-].[Zn+2].
What is the InChIKey of 1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+)?
The InChIKey is UKTWCFURFGPWJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5ClF.ClH.Zn/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 1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+)?
1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+) has a molecular weight of 244.41 g/mol, XLogP of -0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Chloro-3-fluoro-5-methanidyl-benzene;chlorozinc(1+) is sourced from PubChem (CID 76522389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).