1-but-3-en-2-yl-2-fluoropyrrolidine

C₈H₁₄FN — CID 167204155

About 1-but-3-en-2-yl-2-fluoropyrrolidine

1-but-3-en-2-yl-2-fluoropyrrolidine (PubChem CID 167204155) has the molecular formula C₈H₁₄FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2-fluoropyrrolidine.

Molecular Properties

• Compound Name: 1-but-3-en-2-yl-2-fluoropyrrolidine
• PubChem CID: 167204155
• Molecular Formula: C₈H₁₄FN
• Molecular Weight: 143.21 g/mol
• Exact Mass: 143.11
• IUPAC Name: 1-but-3-en-2-yl-2-fluoropyrrolidine
• SMILES: C=CC(C)N1CCCC1F
• InChI: InChI=1S/C8H14FN/c1-3-7(2)10-6-4-5-8(10)9/h3,7-8H,1,4-6H2,2H3
• InChIKey: QTRRDOPIYJNOBB-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.21
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2-fluoropyrrolidine?

The IUPAC name of 1-but-3-en-2-yl-2-fluoropyrrolidine (CID 167204155) is 1-but-3-en-2-yl-2-fluoropyrrolidine.

What is the SMILES notation for 1-but-3-en-2-yl-2-fluoropyrrolidine?

The canonical SMILES for 1-but-3-en-2-yl-2-fluoropyrrolidine is C=CC(C)N1CCCC1F.

What is the InChIKey of 1-but-3-en-2-yl-2-fluoropyrrolidine?

The InChIKey is QTRRDOPIYJNOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-7(2)10-6-4-5-8(10)9/h3,7-8H,1,4-6H2,2H3.

What are the key properties of 1-but-3-en-2-yl-2-fluoropyrrolidine?

1-but-3-en-2-yl-2-fluoropyrrolidine has a molecular weight of 143.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-but-3-en-2-yl-2-fluoropyrrolidine is sourced from PubChem (CID 167204155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167204155 — identifiers, structure, computed properties (public domain)

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