(3S,4S)-3-ethenyl-4-fluoropyrrolidine

C₆H₁₀FN — CID 141285766

About (3S,4S)-3-ethenyl-4-fluoropyrrolidine

(3S,4S)-3-ethenyl-4-fluoropyrrolidine (PubChem CID 141285766) has the molecular formula C₆H₁₀FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (3S,4S)-3-ethenyl-4-fluoropyrrolidine.

Molecular Properties

• Compound Name: (3S,4S)-3-ethenyl-4-fluoropyrrolidine
• PubChem CID: 141285766
• Molecular Formula: C₆H₁₀FN
• Molecular Weight: 115.15 g/mol
• Exact Mass: 115.08
• IUPAC Name: (3S,4S)-3-ethenyl-4-fluoropyrrolidine
• SMILES: C=C[C@H]1CNC[C@H]1F
• InChI: InChI=1S/C6H10FN/c1-2-5-3-8-4-6(5)7/h2,5-6,8H,1,3-4H2/t5-,6+/m0/s1
• InChIKey: CAORSZYWKATWMQ-NTSWFWBYSA-N
• XLogP: 0.73
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	115.15
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethenyl-4-fluoropyrrolidine?

The IUPAC name of (3S,4S)-3-ethenyl-4-fluoropyrrolidine (CID 141285766) is (3S,4S)-3-ethenyl-4-fluoropyrrolidine.

What is the SMILES notation for (3S,4S)-3-ethenyl-4-fluoropyrrolidine?

The canonical SMILES for (3S,4S)-3-ethenyl-4-fluoropyrrolidine is C=C[C@H]1CNC[C@H]1F.

What is the InChIKey of (3S,4S)-3-ethenyl-4-fluoropyrrolidine?

The InChIKey is CAORSZYWKATWMQ-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-5-3-8-4-6(5)7/h2,5-6,8H,1,3-4H2/t5-,6+/m0/s1.

What are the key properties of (3S,4S)-3-ethenyl-4-fluoropyrrolidine?

(3S,4S)-3-ethenyl-4-fluoropyrrolidine has a molecular weight of 115.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-3-ethenyl-4-fluoropyrrolidine is sourced from PubChem (CID 141285766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141285766 — identifiers, structure, computed properties (public domain)

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