CID 171839539

C₁₀H₁₀BrFSi — CID 171839539

About CID 171839539

CID 171839539 (PubChem CID 171839539) has the molecular formula C₁₀H₁₀BrFSi and a molecular weight of 257.18 g/mol.

Molecular Properties

• Compound Name: CID 171839539
• PubChem CID: 171839539
• Molecular Formula: C₁₀H₁₀BrFSi
• Molecular Weight: 257.18 g/mol
• Exact Mass: 255.97
• IUPAC Name: —
• SMILES: C[Si]C1CCc2cc(Br)cc(F)c21
• InChI: InChI=1S/C10H10BrFSi/c1-13-9-3-2-6-4-7(11)5-8(12)10(6)9/h4-5,9H,2-3H2,1H3
• InChIKey: BJQWZCPLMGBCKP-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.18
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 171839539?

The IUPAC name of CID 171839539 (CID 171839539) is not available.

What is the SMILES notation for CID 171839539?

The canonical SMILES for CID 171839539 is C[Si]C1CCc2cc(Br)cc(F)c21.

What is the InChIKey of CID 171839539?

The InChIKey is BJQWZCPLMGBCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFSi/c1-13-9-3-2-6-4-7(11)5-8(12)10(6)9/h4-5,9H,2-3H2,1H3.

What are the key properties of CID 171839539?

CID 171839539 has a molecular weight of 257.18 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for CID 171839539 is sourced from PubChem (CID 171839539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171839539 — identifiers, structure, computed properties (public domain)

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