3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane

C10H16F3NO2 — CID 102930064

IUPAC3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)COC1COC2(CCNCC2)C1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-15-8-5-9(16-6-8)1-3-14-4-2-9/h8,14H,1-7H2
InChIKeyDCPQAXLXWAMWSB-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.48
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane

3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930064) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930064
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)COC1COC2(CCNCC2)C1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-15-8-5-9(16-6-8)1-3-14-4-2-9/h8,14H,1-7H2
InChIKeyDCPQAXLXWAMWSB-UHFFFAOYSA-N
XLogP1.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 102930064) is 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane is FC(F)(F)COC1COC2(CCNCC2)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is DCPQAXLXWAMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-15-8-5-9(16-6-8)1-3-14-4-2-9/h8,14H,1-7H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane?
3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 239.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).