[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone

C₁₀H₁₆FNO₂ — CID 126768755

About [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone

[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone (PubChem CID 126768755) has the molecular formula C₁₀H₁₆FNO₂ and a molecular weight of 201.24 g/mol. Its IUPAC name is [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone.

Molecular Properties

• Compound Name: [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone
• PubChem CID: 126768755
• Molecular Formula: C₁₀H₁₆FNO₂
• Molecular Weight: 201.24 g/mol
• Exact Mass: 201.12
• IUPAC Name: [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone
• SMILES: CC1(C(=O)N2CCCC2CF)COC1
• InChI: InChI=1S/C10H16FNO2/c1-10(6-14-7-10)9(13)12-4-2-3-8(12)5-11/h8H,2-7H2,1H3
• InChIKey: NJSPHRWCTNFGNZ-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.24
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone?

The IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone (CID 126768755) is [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone.

What is the SMILES notation for [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone?

The canonical SMILES for [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone is CC1(C(=O)N2CCCC2CF)COC1.

What is the InChIKey of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone?

The InChIKey is NJSPHRWCTNFGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-10(6-14-7-10)9(13)12-4-2-3-8(12)5-11/h8H,2-7H2,1H3.

What are the key properties of [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone?

[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone has a molecular weight of 201.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone is sourced from PubChem (CID 126768755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126768755 — identifiers, structure, computed properties (public domain)

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