2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione

C11H14F3NO3 — CID 104704512

IUPAC2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CC(O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)7(16)6-15-8(17)5-10(9(15)18)3-1-2-4-10/h7,16H,1-6H2
InChIKeyLSEPEWQTVQGNGL-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.23
Rot. Bonds2

About 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 104704512) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID104704512
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CC(O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)7(16)6-15-8(17)5-10(9(15)18)3-1-2-4-10/h7,16H,1-6H2
InChIKeyLSEPEWQTVQGNGL-UHFFFAOYSA-N
XLogP1.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione 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-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 104704512) is 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1CC(O)C(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is LSEPEWQTVQGNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)7(16)6-15-8(17)5-10(9(15)18)3-1-2-4-10/h7,16H,1-6H2.
What are the key properties of 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 265.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 104704512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).