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

C15H24F9N3O3Si3 — CID 175393679

IUPAC1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCC[SiH2]C(F)(F)F)c(=O)n(CCC[SiH2]C(F)(F)F)c(=O)n1CCC[SiH2]C(F)(F)F
InChIInChI=1S/C15H24F9N3O3Si3/c16-13(17,18)31-7-1-4-25-10(28)26(5-2-8-32-14(19,20)21)12(30)27(11(25)29)6-3-9-33-15(22,23)24/h1-9,31-33H2
InChIKeyUYNWFBUGEQHCGV-UHFFFAOYSA-N
MW549.62 g/mol
LogP0.66
Rot. Bonds12

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

1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 175393679) has the molecular formula C15H24F9N3O3Si3 and a molecular weight of 549.62 g/mol. Its IUPAC name is 1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID175393679
Molecular FormulaC15H24F9N3O3Si3
Molecular Weight549.62 g/mol
Exact Mass549.10
IUPAC Name1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(CCC[SiH2]C(F)(F)F)c(=O)n(CCC[SiH2]C(F)(F)F)c(=O)n1CCC[SiH2]C(F)(F)F
InChIInChI=1S/C15H24F9N3O3Si3/c16-13(17,18)31-7-1-4-25-10(28)26(5-2-8-32-14(19,20)21)12(30)27(11(25)29)6-3-9-33-15(22,23)24/h1-9,31-33H2
InChIKeyUYNWFBUGEQHCGV-UHFFFAOYSA-N
XLogP0.66
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.62
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 174136361
1,3,5-Tris(3-methylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 173579632

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 175393679) is 1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is O=c1n(CCC[SiH2]C(F)(F)F)c(=O)n(CCC[SiH2]C(F)(F)F)c(=O)n1CCC[SiH2]C(F)(F)F.
What is the InChIKey of 1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is UYNWFBUGEQHCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F9N3O3Si3/c16-13(17,18)31-7-1-4-25-10(28)26(5-2-8-32-14(19,20)21)12(30)27(11(25)29)6-3-9-33-15(22,23)24/h1-9,31-33H2.
What are the key properties of 1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 549.62 g/mol, XLogP of 0.66, 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-(trifluoromethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 175393679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).