5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate

C8H10F3NO3 — CID 156635663

IUPAC5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1COC2(CNC2)C1)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-5-1-7(14-2-5)3-12-4-7/h5,12H,1-4H2
InChIKeyIYORXVAVJZJFBJ-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.22
Rot. Bonds1

About 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate

5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate (PubChem CID 156635663) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate
PubChem CID156635663
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1COC2(CNC2)C1)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-5-1-7(14-2-5)3-12-4-7/h5,12H,1-4H2
InChIKeyIYORXVAVJZJFBJ-UHFFFAOYSA-N
XLogP0.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate?
The IUPAC name of 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate (CID 156635663) is 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate is O=C(OC1COC2(CNC2)C1)C(F)(F)F.
What is the InChIKey of 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate?
The InChIKey is IYORXVAVJZJFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-5-1-7(14-2-5)3-12-4-7/h5,12H,1-4H2.
What are the key properties of 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate?
5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate has a molecular weight of 225.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 156635663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).