9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane

C14H20F3N3O — CID 71915805

IUPAC9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESFC(F)(F)Cn1ccnc1CN1CCOC2(CCCC2)C1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)11-20-6-5-18-12(20)9-19-7-8-21-13(10-19)3-1-2-4-13/h5-6H,1-4,7-11H2
InChIKeyVWXCFIHGIJNOBZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.59
Rot. Bonds3

About 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane

9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71915805) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID71915805
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESFC(F)(F)Cn1ccnc1CN1CCOC2(CCCC2)C1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)11-20-6-5-18-12(20)9-19-7-8-21-13(10-19)3-1-2-4-13/h5-6H,1-4,7-11H2
InChIKeyVWXCFIHGIJNOBZ-UHFFFAOYSA-N
XLogP2.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane 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 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane (CID 71915805) is 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane is FC(F)(F)Cn1ccnc1CN1CCOC2(CCCC2)C1.
What is the InChIKey of 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is VWXCFIHGIJNOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)11-20-6-5-18-12(20)9-19-7-8-21-13(10-19)3-1-2-4-13/h5-6H,1-4,7-11H2.
What are the key properties of 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane?
9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 303.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71915805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).