2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane

C10H13F3N4 — CID 171533202

IUPAC2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESFC(F)(F)c1cnc(CN2CC3(CNC3)C2)[nH]1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-1-15-8(16-7)2-17-5-9(6-17)3-14-4-9/h1,14H,2-6H2,(H,15,16)
InChIKeyVGLYXGXBZGCROJ-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.83
Rot. Bonds2

About 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane

2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 171533202) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID171533202
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESFC(F)(F)c1cnc(CN2CC3(CNC3)C2)[nH]1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-1-15-8(16-7)2-17-5-9(6-17)3-14-4-9/h1,14H,2-6H2,(H,15,16)
InChIKeyVGLYXGXBZGCROJ-UHFFFAOYSA-N
XLogP0.83
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane (CID 171533202) is 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane is FC(F)(F)c1cnc(CN2CC3(CNC3)C2)[nH]1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is VGLYXGXBZGCROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)7-1-15-8(16-7)2-17-5-9(6-17)3-14-4-9/h1,14H,2-6H2,(H,15,16).
What are the key properties of 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane?
2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 246.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 171533202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).