2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine

C₁₁H₂₀FNOS — CID 112565226

About 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine

2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 112565226) has the molecular formula C₁₁H₂₀FNOS and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

• Compound Name: 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
• PubChem CID: 112565226
• Molecular Formula: C₁₁H₂₀FNOS
• Molecular Weight: 233.35 g/mol
• Exact Mass: 233.12
• IUPAC Name: 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
• SMILES: CC(F)(CN)C1CCOC2(CCSC2)C1
• InChI: InChI=1S/C11H20FNOS/c1-10(12,7-13)9-2-4-14-11(6-9)3-5-15-8-11/h9H,2-8,13H2,1H3
• InChIKey: POCLRCNWGQMMCC-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.35
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?

The IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine (CID 112565226) is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine.

What is the SMILES notation for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?

The canonical SMILES for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine is CC(F)(CN)C1CCOC2(CCSC2)C1.

What is the InChIKey of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?

The InChIKey is POCLRCNWGQMMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNOS/c1-10(12,7-13)9-2-4-14-11(6-9)3-5-15-8-11/h9H,2-8,13H2,1H3.

What are the key properties of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?

2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 112565226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112565226 — identifiers, structure, computed properties (public domain)

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