2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane

C17H23F2NO — CID 65121041

IUPAC2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1CCC2(CC1)CNCC(c1c(F)cccc1F)O2
InChIInChI=1S/C17H23F2NO/c1-2-12-6-8-17(9-7-12)11-20-10-15(21-17)16-13(18)4-3-5-14(16)19/h3-5,12,15,20H,2,6-11H2,1H3
InChIKeyAJZHSAKRZUYFJA-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.96
Rot. Bonds2

About 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane

2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65121041) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65121041
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1CCC2(CC1)CNCC(c1c(F)cccc1F)O2
InChIInChI=1S/C17H23F2NO/c1-2-12-6-8-17(9-7-12)11-20-10-15(21-17)16-13(18)4-3-5-14(16)19/h3-5,12,15,20H,2,6-11H2,1H3
InChIKeyAJZHSAKRZUYFJA-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane (CID 65121041) is 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane is CCC1CCC2(CC1)CNCC(c1c(F)cccc1F)O2.
What is the InChIKey of 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is AJZHSAKRZUYFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-2-12-6-8-17(9-7-12)11-20-10-15(21-17)16-13(18)4-3-5-14(16)19/h3-5,12,15,20H,2,6-11H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane?
2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 295.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65121041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).