[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone

C₁₆H₂₀FNO₂ — CID 174959181

About [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone

[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone (PubChem CID 174959181) has the molecular formula C₁₆H₂₀FNO₂ and a molecular weight of 277.34 g/mol. Its IUPAC name is [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone.

Molecular Properties

• Compound Name: [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
• PubChem CID: 174959181
• Molecular Formula: C₁₆H₂₀FNO₂
• Molecular Weight: 277.34 g/mol
• Exact Mass: 277.15
• IUPAC Name: [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone
• SMILES: O=C([C@@H]1CCCCO1)N1CCCC1c1ccccc1F
• InChI: InChI=1S/C16H20FNO2/c17-13-7-2-1-6-12(13)14-8-5-10-18(14)16(19)15-9-3-4-11-20-15/h1-2,6-7,14-15H,3-5,8-11H2/t14?,15-/m0/s1
• InChIKey: BQQSJKVIBQYHIV-LOACHALJSA-N
• XLogP: 3.06
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.34
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone?

The IUPAC name of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone (CID 174959181) is [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone.

What is the SMILES notation for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone?

The canonical SMILES for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone is O=C([C@@H]1CCCCO1)N1CCCC1c1ccccc1F.

What is the InChIKey of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone?

The InChIKey is BQQSJKVIBQYHIV-LOACHALJSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-13-7-2-1-6-12(13)14-8-5-10-18(14)16(19)15-9-3-4-11-20-15/h1-2,6-7,14-15H,3-5,8-11H2/t14?,15-/m0/s1.

What are the key properties of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone?

[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone has a molecular weight of 277.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2S)-oxan-2-yl]methanone is sourced from PubChem (CID 174959181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174959181 — identifiers, structure, computed properties (public domain)

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