9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane

C10H17F2NO2 — CID 176563262

IUPAC9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCN1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-2-13-5-4-10(9(11,12)8-13)14-6-3-7-15-10/h2-8H2,1H3
InChIKeyDOGIGTFWDDMFOJ-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.48
Rot. Bonds1

About 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane

9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 176563262) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID176563262
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCN1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-2-13-5-4-10(9(11,12)8-13)14-6-3-7-15-10/h2-8H2,1H3
InChIKeyDOGIGTFWDDMFOJ-UHFFFAOYSA-N
XLogP1.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane (CID 176563262) is 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane is CCN1CCC2(OCCCO2)C(F)(F)C1.
What is the InChIKey of 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is DOGIGTFWDDMFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-2-13-5-4-10(9(11,12)8-13)14-6-3-7-15-10/h2-8H2,1H3.
What are the key properties of 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane?
9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 221.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 176563262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).