WXCOLPQHWFTEDX-INIZCTEOSA-N

C₂₁H₁₄BF₅N₂O₃ — CID 153270924

About WXCOLPQHWFTEDX-INIZCTEOSA-N

WXCOLPQHWFTEDX-INIZCTEOSA-N (PubChem CID 153270924) has the molecular formula C₂₁H₁₄BF₅N₂O₃ and a molecular weight of 448.16 g/mol.

Molecular Properties

• Compound Name: WXCOLPQHWFTEDX-INIZCTEOSA-N
• PubChem CID: 153270924
• Molecular Formula: C₂₁H₁₄BF₅N₂O₃
• Molecular Weight: 448.16 g/mol
• Exact Mass: 448.10
• IUPAC Name: —
• SMILES: [B]c1ccc(C[C@H](NC(=O)c2c(F)cccc2F)C(=O)OC)c2cc(C(F)(F)F)cnc12
• InChI: InChI=1S/C21H14BF5N2O3/c1-32-20(31)16(29-19(30)17-14(23)3-2-4-15(17)24)7-10-5-6-13(22)18-12(10)8-11(9-28-18)21(25,26)27/h2-6,8-9,16H,7H2,1H3,(H,29,30)/t16-/m0/s1
• InChIKey: PPJPRZVYXJXCIC-INIZCTEOSA-N
• XLogP: 2.84
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.16
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of WXCOLPQHWFTEDX-INIZCTEOSA-N?

The IUPAC name of WXCOLPQHWFTEDX-INIZCTEOSA-N (CID 153270924) is not available.

What is the SMILES notation for WXCOLPQHWFTEDX-INIZCTEOSA-N?

The canonical SMILES for WXCOLPQHWFTEDX-INIZCTEOSA-N is [B]c1ccc(C[C@H](NC(=O)c2c(F)cccc2F)C(=O)OC)c2cc(C(F)(F)F)cnc12.

What is the InChIKey of WXCOLPQHWFTEDX-INIZCTEOSA-N?

The InChIKey is PPJPRZVYXJXCIC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H14BF5N2O3/c1-32-20(31)16(29-19(30)17-14(23)3-2-4-15(17)24)7-10-5-6-13(22)18-12(10)8-11(9-28-18)21(25,26)27/h2-6,8-9,16H,7H2,1H3,(H,29,30)/t16-/m0/s1.

What are the key properties of WXCOLPQHWFTEDX-INIZCTEOSA-N?

WXCOLPQHWFTEDX-INIZCTEOSA-N has a molecular weight of 448.16 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for WXCOLPQHWFTEDX-INIZCTEOSA-N is sourced from PubChem (CID 153270924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153270924 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.