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

C14H29F2NO2 — CID 176563261

IUPACethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC.CC.CCN1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C10H17F2NO2.2C2H6/c1-2-13-5-4-10(9(11,12)8-13)14-6-3-7-15-10;2*1-2/h2-8H2,1H3;2*1-2H3
InChIKeyIUDABANOMUJRIG-UHFFFAOYSA-N
MW281.39 g/mol
LogP3.53
Rot. Bonds1

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

ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 176563261) has the molecular formula C14H29F2NO2 and a molecular weight of 281.39 g/mol. Its IUPAC name is ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID176563261
Molecular FormulaC14H29F2NO2
Molecular Weight281.39 g/mol
Exact Mass281.22
IUPAC Nameethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC.CC.CCN1CCC2(OCCCO2)C(F)(F)C1
InChIInChI=1S/C10H17F2NO2.2C2H6/c1-2-13-5-4-10(9(11,12)8-13)14-6-3-7-15-10;2*1-2/h2-8H2,1H3;2*1-2H3
InChIKeyIUDABANOMUJRIG-UHFFFAOYSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane (CID 176563261) is ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane is CC.CC.CCN1CCC2(OCCCO2)C(F)(F)C1.
What is the InChIKey of ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is IUDABANOMUJRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2.2C2H6/c1-2-13-5-4-10(9(11,12)8-13)14-6-3-7-15-10;2*1-2/h2-8H2,1H3;2*1-2H3.
What are the key properties of ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane?
ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 281.39 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 176563261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).