11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane

C13H25F2NO2 — CID 176563927

IUPAC11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane
SMILESCC.CC(C)N1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C11H19F2NO2.C2H6/c1-9(2)14-5-4-11(10(12,13)8-14)15-6-3-7-16-11;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyHCJFMDTVYJSJFC-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.90
Rot. Bonds1

About 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane

11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane (PubChem CID 176563927) has the molecular formula C13H25F2NO2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane.

Molecular Properties

Compound Name11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane
PubChem CID176563927
Molecular FormulaC13H25F2NO2
Molecular Weight265.34 g/mol
Exact Mass265.19
IUPAC Name11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane
SMILESCC.CC(C)N1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C11H19F2NO2.C2H6/c1-9(2)14-5-4-11(10(12,13)8-14)15-6-3-7-16-11;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyHCJFMDTVYJSJFC-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane?
The IUPAC name of 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane (CID 176563927) is 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane.
What is the SMILES notation for 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane?
The canonical SMILES for 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane is CC.CC(C)N1CCC2(OCCCO2)C(F)(F)C1.
What is the InChIKey of 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane?
The InChIKey is HCJFMDTVYJSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2.C2H6/c1-9(2)14-5-4-11(10(12,13)8-14)15-6-3-7-16-11;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane?
11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane has a molecular weight of 265.34 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane is sourced from PubChem (CID 176563927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).