1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione

C12H18F9N3O3Si3 — CID 174136093

IUPAC1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCC[Si](F)(F)F)c(=O)n(CCC[Si](F)(F)F)c(=O)n1CCC[Si](F)(F)F
InChIInChI=1S/C12H18F9N3O3Si3/c13-28(14,15)7-1-4-22-10(25)23(5-2-8-29(16,17)18)12(27)24(11(22)26)6-3-9-30(19,20)21/h1-9H2
InChIKeyVVRZQXZIUSYVDT-UHFFFAOYSA-N
MW507.53 g/mol
LogP2.88
Rot. Bonds12

About 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 174136093) has the molecular formula C12H18F9N3O3Si3 and a molecular weight of 507.53 g/mol. Its IUPAC name is 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID174136093
Molecular FormulaC12H18F9N3O3Si3
Molecular Weight507.53 g/mol
Exact Mass507.05
IUPAC Name1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCC[Si](F)(F)F)c(=O)n(CCC[Si](F)(F)F)c(=O)n1CCC[Si](F)(F)F
InChIInChI=1S/C12H18F9N3O3Si3/c13-28(14,15)7-1-4-22-10(25)23(5-2-8-29(16,17)18)12(27)24(11(22)26)6-3-9-30(19,20)21/h1-9H2
InChIKeyVVRZQXZIUSYVDT-UHFFFAOYSA-N
XLogP2.88
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.53
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 174136190
1,3,5-Tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 174136361
1,3,5-Tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 175393679
1,3,5-Tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 22906190
1,3,5-Tris(1-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 140383593
1,3-Bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 153322050
CID 156632437
CID 156632437
1,3,5-Tris(1-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 156761756
1,3,5-Tris(3-methylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 173579632
1,3,5-Tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 174051388

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 174136093) is 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione is O=c1n(CCC[Si](F)(F)F)c(=O)n(CCC[Si](F)(F)F)c(=O)n1CCC[Si](F)(F)F.
What is the InChIKey of 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VVRZQXZIUSYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F9N3O3Si3/c13-28(14,15)7-1-4-22-10(25)23(5-2-8-29(16,17)18)12(27)24(11(22)26)6-3-9-30(19,20)21/h1-9H2.
What are the key properties of 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 507.53 g/mol, XLogP of 2.88, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174136093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).