2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one

C8H9F3N2O2 — CID 118525468

IUPAC2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one
SMILESO=C(N1CC2(CNCC2=O)C1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)6(15)13-3-7(4-13)2-12-1-5(7)14/h12H,1-4H2
InChIKeyJYADCTOQJUWZBQ-UHFFFAOYSA-N
MW222.17 g/mol
LogP-0.45
Rot. Bonds

About 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one

2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one (PubChem CID 118525468) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one
PubChem CID118525468
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one
SMILESO=C(N1CC2(CNCC2=O)C1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)6(15)13-3-7(4-13)2-12-1-5(7)14/h12H,1-4H2
InChIKeyJYADCTOQJUWZBQ-UHFFFAOYSA-N
XLogP-0.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one?
The IUPAC name of 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one (CID 118525468) is 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one.
What is the SMILES notation for 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one?
The canonical SMILES for 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one is O=C(N1CC2(CNCC2=O)C1)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one?
The InChIKey is JYADCTOQJUWZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)6(15)13-3-7(4-13)2-12-1-5(7)14/h12H,1-4H2.
What are the key properties of 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one?
2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one has a molecular weight of 222.17 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one is sourced from PubChem (CID 118525468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).