5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]

C₁₁H₁₂FNO — CID 130901339

About 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]

5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine] (PubChem CID 130901339) has the molecular formula C₁₁H₁₂FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine].

Molecular Properties

• Compound Name: 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]
• PubChem CID: 130901339
• Molecular Formula: C₁₁H₁₂FNO
• Molecular Weight: 193.22 g/mol
• Exact Mass: 193.09
• IUPAC Name: 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]
• SMILES: Fc1ccc2c(c1)C1(CCNC1)CO2
• InChI: InChI=1S/C11H12FNO/c12-8-1-2-10-9(5-8)11(7-14-10)3-4-13-6-11/h1-2,5,13H,3-4,6-7H2
• InChIKey: ASZFYCDTYZUAJP-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.22
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]?

The IUPAC name of 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine] (CID 130901339) is 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine].

What is the SMILES notation for 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]?

The canonical SMILES for 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine] is Fc1ccc2c(c1)C1(CCNC1)CO2.

What is the InChIKey of 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]?

The InChIKey is ASZFYCDTYZUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-8-1-2-10-9(5-8)11(7-14-10)3-4-13-6-11/h1-2,5,13H,3-4,6-7H2.

What are the key properties of 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]?

5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine] has a molecular weight of 193.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine] is sourced from PubChem (CID 130901339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130901339 — identifiers, structure, computed properties (public domain)

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