CID 87257465

C6H2F3Sn — CID 87257465

IUPAC—
SMILESFc1ccc([Sn])c(F)c1F
InChIInChI=1S/C6H2F3.Sn/c7-4-2-1-3-5(8)6(4)9;/h1-2H;
InChIKeyAPOAAPAGPXHAEI-UHFFFAOYSA-N
MW249.79 g/mol
LogP0.90
Rot. Bonds

About CID 87257465

CID 87257465 (PubChem CID 87257465) has the molecular formula C6H2F3Sn and a molecular weight of 249.79 g/mol.

Molecular Properties

Compound NameCID 87257465
PubChem CID87257465
Molecular FormulaC6H2F3Sn
Molecular Weight249.79 g/mol
Exact Mass250.91
IUPAC Name—
SMILESFc1ccc([Sn])c(F)c1F
InChIInChI=1S/C6H2F3.Sn/c7-4-2-1-3-5(8)6(4)9;/h1-2H;
InChIKeyAPOAAPAGPXHAEI-UHFFFAOYSA-N
XLogP0.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze CID 87257465 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 CID 87257465?
The IUPAC name of CID 87257465 (CID 87257465) is not available.
What is the SMILES notation for CID 87257465?
The canonical SMILES for CID 87257465 is Fc1ccc([Sn])c(F)c1F.
What is the InChIKey of CID 87257465?
The InChIKey is APOAAPAGPXHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3.Sn/c7-4-2-1-3-5(8)6(4)9;/h1-2H;.
What are the key properties of CID 87257465?
CID 87257465 has a molecular weight of 249.79 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87257465 is sourced from PubChem (CID 87257465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).