2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid

C9H13F3N2O3 — CID 155822663

IUPAC2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCC2(CNC2)CN1
InChIInChI=1S/C7H12N2O.C2HF3O2/c10-6-1-2-7(5-9-6)3-8-4-7;3-2(4,5)1(6)7/h8H,1-5H2,(H,9,10);(H,6,7)
InChIKeyUGDHXTCYMLJSQI-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.12
Rot. Bonds

About 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid

2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid (PubChem CID 155822663) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid
PubChem CID155822663
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCC2(CNC2)CN1
InChIInChI=1S/C7H12N2O.C2HF3O2/c10-6-1-2-7(5-9-6)3-8-4-7;3-2(4,5)1(6)7/h8H,1-5H2,(H,9,10);(H,6,7)
InChIKeyUGDHXTCYMLJSQI-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid (CID 155822663) is 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCC2(CNC2)CN1.
What is the InChIKey of 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid?
The InChIKey is UGDHXTCYMLJSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2HF3O2/c10-6-1-2-7(5-9-6)3-8-4-7;3-2(4,5)1(6)7/h8H,1-5H2,(H,9,10);(H,6,7).
What are the key properties of 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid?
2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid has a molecular weight of 254.21 g/mol, XLogP of 0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.5]nonan-7-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155822663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).