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

C11H19F2NO2 — CID 176563835

IUPAC11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC(C)N1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C11H19F2NO2/c1-9(2)14-5-4-11(10(12,13)8-14)15-6-3-7-16-11/h9H,3-8H2,1-2H3
InChIKeyUKBDWJORTRKIHA-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.87
Rot. Bonds1

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

11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 176563835) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID176563835
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC(C)N1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C11H19F2NO2/c1-9(2)14-5-4-11(10(12,13)8-14)15-6-3-7-16-11/h9H,3-8H2,1-2H3
InChIKeyUKBDWJORTRKIHA-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.87
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?
The IUPAC name of 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 176563835) is 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane is 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?
The InChIKey is UKBDWJORTRKIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-9(2)14-5-4-11(10(12,13)8-14)15-6-3-7-16-11/h9H,3-8H2,1-2H3.
What are the key properties of 11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane?
11,11-difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 235.27 g/mol, XLogP of 1.87, 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 is sourced from PubChem (CID 176563835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).