3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane

C11H18F3NO3 — CID 102930180

IUPAC3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)OCCOC1COC2(CCNCC2)C1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)17-6-5-16-9-7-10(18-8-9)1-3-15-4-2-10/h9,15H,1-8H2
InChIKeyLIHLLJDRPUGTPW-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.45
Rot. Bonds4

About 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane

3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930180) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930180
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)OCCOC1COC2(CCNCC2)C1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)17-6-5-16-9-7-10(18-8-9)1-3-15-4-2-10/h9,15H,1-8H2
InChIKeyLIHLLJDRPUGTPW-UHFFFAOYSA-N
XLogP1.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930180) is 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane is FC(F)(F)OCCOC1COC2(CCNCC2)C1.
What is the InChIKey of 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is LIHLLJDRPUGTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)17-6-5-16-9-7-10(18-8-9)1-3-15-4-2-10/h9,15H,1-8H2.
What are the key properties of 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane?
3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 269.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)ethoxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).