1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione

C18H36F3N3O3Si3 — CID 174136361

IUPAC1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
SMILESC[Si](C)(F)CCCn1c(=O)n(CCC[Si](C)(C)F)c(=O)n(CCC[Si](C)(C)F)c1=O
InChIInChI=1S/C18H36F3N3O3Si3/c1-28(2,19)13-7-10-22-16(25)23(11-8-14-29(3,4)20)18(27)24(17(22)26)12-9-15-30(5,6)21/h7-15H2,1-6H3
InChIKeyIXKOWPQLBBDXAB-UHFFFAOYSA-N
MW483.76 g/mol
LogP3.87
Rot. Bonds12

About 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 174136361) has the molecular formula C18H36F3N3O3Si3 and a molecular weight of 483.76 g/mol. Its IUPAC name is 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID174136361
Molecular FormulaC18H36F3N3O3Si3
Molecular Weight483.76 g/mol
Exact Mass483.20
IUPAC Name1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
SMILESC[Si](C)(F)CCCn1c(=O)n(CCC[Si](C)(C)F)c(=O)n(CCC[Si](C)(C)F)c1=O
InChIInChI=1S/C18H36F3N3O3Si3/c1-28(2,19)13-7-10-22-16(25)23(11-8-14-29(3,4)20)18(27)24(17(22)26)12-9-15-30(5,6)21/h7-15H2,1-6H3
InChIKeyIXKOWPQLBBDXAB-UHFFFAOYSA-N
XLogP3.87
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.76
LogP ≤ 53.87
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

Tris(3-(trimethoxysilyl)propyl) isocyanurate
CID 117734
Tris-(trimethoxysilylpropyl)isocyanurate
CID 69111220
1,3,5-Tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 174136093
1,3,5-Tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 174136190
1,3,5-Tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 175393679
1,3-Bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847520
1,3-Bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847572
1-(2-Fluoroethyl)-3,5-bis[3-(2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 176847617
1-[2-[[Dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847653
1,3-Bis[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847657
1,3-Bis[3-[2-[dimethyl(3-trimethoxysilylpropyl)silyl]ethyl-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 177125316
1-(1-Fluoro-3-trimethoxysilylpropyl)-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 178076951

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (CID 174136361) is 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is C[Si](C)(F)CCCn1c(=O)n(CCC[Si](C)(C)F)c(=O)n(CCC[Si](C)(C)F)c1=O.
What is the InChIKey of 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is IXKOWPQLBBDXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36F3N3O3Si3/c1-28(2,19)13-7-10-22-16(25)23(11-8-14-29(3,4)20)18(27)24(17(22)26)12-9-15-30(5,6)21/h7-15H2,1-6H3.
What are the key properties of 1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 483.76 g/mol, XLogP of 3.87, 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-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174136361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).