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

C15H27F6N3O3Si3 — CID 174136190

IUPAC1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
SMILESC[Si](F)(F)CCCn1c(=O)n(CCC[Si](C)(F)F)c(=O)n(CCC[Si](C)(F)F)c1=O
InChIInChI=1S/C15H27F6N3O3Si3/c1-28(16,17)10-4-7-22-13(25)23(8-5-11-29(2,18)19)15(27)24(14(22)26)9-6-12-30(3,20)21/h4-12H2,1-3H3
InChIKeyLIEBJTAUEDNRFQ-UHFFFAOYSA-N
MW495.65 g/mol
LogP3.38
Rot. Bonds12

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

1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 174136190) has the molecular formula C15H27F6N3O3Si3 and a molecular weight of 495.65 g/mol. Its IUPAC name is 1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID174136190
Molecular FormulaC15H27F6N3O3Si3
Molecular Weight495.65 g/mol
Exact Mass495.13
IUPAC Name1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
SMILESC[Si](F)(F)CCCn1c(=O)n(CCC[Si](C)(F)F)c(=O)n(CCC[Si](C)(F)F)c1=O
InChIInChI=1S/C15H27F6N3O3Si3/c1-28(16,17)10-4-7-22-13(25)23(8-5-11-29(2,18)19)15(27)24(14(22)26)9-6-12-30(3,20)21/h4-12H2,1-3H3
InChIKeyLIEBJTAUEDNRFQ-UHFFFAOYSA-N
XLogP3.38
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (CID 174136190) is 1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is C[Si](F)(F)CCCn1c(=O)n(CCC[Si](C)(F)F)c(=O)n(CCC[Si](C)(F)F)c1=O.
What is the InChIKey of 1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is LIEBJTAUEDNRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F6N3O3Si3/c1-28(16,17)10-4-7-22-13(25)23(8-5-11-29(2,18)19)15(27)24(14(22)26)9-6-12-30(3,20)21/h4-12H2,1-3H3.
What are the key properties of 1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 495.65 g/mol, XLogP of 3.38, 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-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174136190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).