2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione

C14H16F3N3O2 — CID 71879433

IUPAC2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-19-6-5-18-10(19)8-20-11(21)7-13(12(20)22)3-1-2-4-13/h5-6H,1-4,7-9H2
InChIKeyZIUSRLYQCJILIV-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.26
Rot. Bonds3

About 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 71879433) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID71879433
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-19-6-5-18-10(19)8-20-11(21)7-13(12(20)22)3-1-2-4-13/h5-6H,1-4,7-9H2
InChIKeyZIUSRLYQCJILIV-UHFFFAOYSA-N
XLogP2.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-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-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 71879433) is 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1Cc1nccn1CC(F)(F)F.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is ZIUSRLYQCJILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)9-19-6-5-18-10(19)8-20-11(21)7-13(12(20)22)3-1-2-4-13/h5-6H,1-4,7-9H2.
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 315.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 71879433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).