(2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C₉H₁₈FNO — CID 176638926

About (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

(2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 176638926) has the molecular formula C₉H₁₈FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

• Compound Name: (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
• PubChem CID: 176638926
• Molecular Formula: C₉H₁₈FNO
• Molecular Weight: 175.25 g/mol
• Exact Mass: 175.14
• IUPAC Name: (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
• SMILES: CC(C)(C)OC[C@@H]1C[C@@H](F)CN1
• InChI: InChI=1S/C9H18FNO/c1-9(2,3)12-6-8-4-7(10)5-11-8/h7-8,11H,4-6H2,1-3H3/t7-,8+/m1/s1
• InChIKey: XLWJLEGLEXHTRT-SFYZADRCSA-N
• XLogP: 1.50
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.25
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?

The IUPAC name of (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 176638926) is (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

What is the SMILES notation for (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?

The canonical SMILES for (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(C)(C)OC[C@@H]1C[C@@H](F)CN1.

What is the InChIKey of (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?

The InChIKey is XLWJLEGLEXHTRT-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)12-6-8-4-7(10)5-11-8/h7-8,11H,4-6H2,1-3H3/t7-,8+/m1/s1.

What are the key properties of (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?

(2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 176638926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 176638926 — identifiers, structure, computed properties (public domain)

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