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

C11H19F2NO — CID 142524247

IUPAC2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane
SMILESCCOCCCN1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C11H19F2NO/c1-2-15-5-3-4-14-8-10(9-14)6-11(12,13)7-10/h2-9H2,1H3
InChIKeyLHUGJAACOMTFCC-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.14
Rot. Bonds5

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

2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane (PubChem CID 142524247) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane
PubChem CID142524247
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane
SMILESCCOCCCN1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C11H19F2NO/c1-2-15-5-3-4-14-8-10(9-14)6-11(12,13)7-10/h2-9H2,1H3
InChIKeyLHUGJAACOMTFCC-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.14
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)-6,6-difluoro-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane (CID 142524247) is 2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane is CCOCCCN1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane?
The InChIKey is LHUGJAACOMTFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-2-15-5-3-4-14-8-10(9-14)6-11(12,13)7-10/h2-9H2,1H3.
What are the key properties of 2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane?
2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane has a molecular weight of 219.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-6,6-difluoro-2-azaspiro[3.3]heptane is sourced from PubChem (CID 142524247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).