[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone

C₁₀H₁₇FN₂O — CID 129496447

About [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone

[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 129496447) has the molecular formula C₁₀H₁₇FN₂O and a molecular weight of 200.26 g/mol. Its IUPAC name is [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

• Compound Name: [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
• PubChem CID: 129496447
• Molecular Formula: C₁₀H₁₇FN₂O
• Molecular Weight: 200.26 g/mol
• Exact Mass: 200.13
• IUPAC Name: [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
• SMILES: O=C([C@H]1CCCCN1)N1CC(CF)C1
• InChI: InChI=1S/C10H17FN2O/c11-5-8-6-13(7-8)10(14)9-3-1-2-4-12-9/h8-9,12H,1-7H2/t9-/m1/s1
• InChIKey: JWVADTOGHQFTSJ-SECBINFHSA-N
• XLogP: 0.56
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.26
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 129496447) is [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

What is the SMILES notation for [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The canonical SMILES for [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CC(CF)C1.

What is the InChIKey of [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The InChIKey is JWVADTOGHQFTSJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17FN2O/c11-5-8-6-13(7-8)10(14)9-3-1-2-4-12-9/h8-9,12H,1-7H2/t9-/m1/s1.

What are the key properties of [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 200.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 129496447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129496447 — identifiers, structure, computed properties (public domain)

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