2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane

C11H20FNO — CID 153336759

IUPAC2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane
SMILESCCOCCCN1CC2(CC(F)C2)C1
InChIInChI=1S/C11H20FNO/c1-2-14-5-3-4-13-8-11(9-13)6-10(12)7-11/h10H,2-9H2,1H3
InChIKeyYMAMTDDZRZJUAJ-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds5

About 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane

2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane (PubChem CID 153336759) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane
PubChem CID153336759
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane
SMILESCCOCCCN1CC2(CC(F)C2)C1
InChIInChI=1S/C11H20FNO/c1-2-14-5-3-4-13-8-11(9-13)6-10(12)7-11/h10H,2-9H2,1H3
InChIKeyYMAMTDDZRZJUAJ-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane (CID 153336759) is 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane is CCOCCCN1CC2(CC(F)C2)C1.
What is the InChIKey of 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane?
The InChIKey is YMAMTDDZRZJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-2-14-5-3-4-13-8-11(9-13)6-10(12)7-11/h10H,2-9H2,1H3.
What are the key properties of 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane?
2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane has a molecular weight of 201.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-6-fluoro-2-azaspiro[3.3]heptane is sourced from PubChem (CID 153336759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).