1-fluoro-2-methanidylbenzene;zinc

C7H6FZn- — CID 87262851

IUPAC1-fluoro-2-methanidylbenzene;zinc
SMILES[CH2-]c1ccccc1F.[Zn]
InChIInChI=1S/C7H6F.Zn/c1-6-4-2-3-5-7(6)8;/h2-5H,1H2;/q-1;
InChIKeyUQDJYLGUSRRHKY-UHFFFAOYSA-N
MW174.51 g/mol
LogP2.01
Rot. Bonds

About 1-fluoro-2-methanidylbenzene;zinc

1-fluoro-2-methanidylbenzene;zinc (PubChem CID 87262851) has the molecular formula C7H6FZn- and a molecular weight of 174.51 g/mol. Its IUPAC name is 1-fluoro-2-methanidylbenzene;zinc.

Molecular Properties

Compound Name1-fluoro-2-methanidylbenzene;zinc
PubChem CID87262851
Molecular FormulaC7H6FZn-
Molecular Weight174.51 g/mol
Exact Mass172.98
IUPAC Name1-fluoro-2-methanidylbenzene;zinc
SMILES[CH2-]c1ccccc1F.[Zn]
InChIInChI=1S/C7H6F.Zn/c1-6-4-2-3-5-7(6)8;/h2-5H,1H2;/q-1;
InChIKeyUQDJYLGUSRRHKY-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.51
LogP ≤ 52.01
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'}

Analyze 1-fluoro-2-methanidylbenzene;zinc 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 1-fluoro-2-methanidylbenzene;zinc?
The IUPAC name of 1-fluoro-2-methanidylbenzene;zinc (CID 87262851) is 1-fluoro-2-methanidylbenzene;zinc.
What is the SMILES notation for 1-fluoro-2-methanidylbenzene;zinc?
The canonical SMILES for 1-fluoro-2-methanidylbenzene;zinc is [CH2-]c1ccccc1F.[Zn].
What is the InChIKey of 1-fluoro-2-methanidylbenzene;zinc?
The InChIKey is UQDJYLGUSRRHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F.Zn/c1-6-4-2-3-5-7(6)8;/h2-5H,1H2;/q-1;.
What are the key properties of 1-fluoro-2-methanidylbenzene;zinc?
1-fluoro-2-methanidylbenzene;zinc has a molecular weight of 174.51 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methanidylbenzene;zinc is sourced from PubChem (CID 87262851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).