(7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate

C8H9F3N2O3 — CID 162368047

IUPAC(7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate
SMILESO=C1CC2(CN1)CNC2OC(=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)6(15)16-5-7(3-13-5)1-4(14)12-2-7/h5,13H,1-3H2,(H,12,14)
InChIKeyATKVCXJRTYYTNG-UHFFFAOYSA-N
MW238.16 g/mol
LogP-0.47
Rot. Bonds1

About (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate

(7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate (PubChem CID 162368047) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate
PubChem CID162368047
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name(7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate
SMILESO=C1CC2(CN1)CNC2OC(=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)6(15)16-5-7(3-13-5)1-4(14)12-2-7/h5,13H,1-3H2,(H,12,14)
InChIKeyATKVCXJRTYYTNG-UHFFFAOYSA-N
XLogP-0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate (CID 162368047) is (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate is O=C1CC2(CN1)CNC2OC(=O)C(F)(F)F.
What is the InChIKey of (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate?
The InChIKey is ATKVCXJRTYYTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)6(15)16-5-7(3-13-5)1-4(14)12-2-7/h5,13H,1-3H2,(H,12,14).
What are the key properties of (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate?
(7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate has a molecular weight of 238.16 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-2,6-diazaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 162368047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).