1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione

C18H48FN3O9Si8 — CID 176847641

IUPAC1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione
SMILESC[SiH](C)O[Si](Cn1c(=O)n(CF)c(=O)n(C[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C)c1=O)(O[SiH](C)C)O[SiH](C)C
InChIInChI=1S/C18H48FN3O9Si8/c1-32(2)26-38(27-33(3)4,28-34(5)6)14-21-16(23)20(13-19)17(24)22(18(21)25)15-39(29-35(7)8,30-36(9)10)31-37(11)12/h32-37H,13-15H2,1-12H3
InChIKeyNZUALROTZYDZDF-UHFFFAOYSA-N
MW694.28 g/mol
LogP0.05
Rot. Bonds17

About 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione

1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847641) has the molecular formula C18H48FN3O9Si8 and a molecular weight of 694.28 g/mol. Its IUPAC name is 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID176847641
Molecular FormulaC18H48FN3O9Si8
Molecular Weight694.28 g/mol
Exact Mass693.15
IUPAC Name1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione
SMILESC[SiH](C)O[Si](Cn1c(=O)n(CF)c(=O)n(C[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C)c1=O)(O[SiH](C)C)O[SiH](C)C
InChIInChI=1S/C18H48FN3O9Si8/c1-32(2)26-38(27-33(3)4,28-34(5)6)14-21-16(23)20(13-19)17(24)22(18(21)25)15-39(29-35(7)8,30-36(9)10)31-37(11)12/h32-37H,13-15H2,1-12H3
InChIKeyNZUALROTZYDZDF-UHFFFAOYSA-N
XLogP0.05
TPSA121.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.28
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione (CID 176847641) is 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione is C[SiH](C)O[Si](Cn1c(=O)n(CF)c(=O)n(C[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C)c1=O)(O[SiH](C)C)O[SiH](C)C.
What is the InChIKey of 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is NZUALROTZYDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H48FN3O9Si8/c1-32(2)26-38(27-33(3)4,28-34(5)6)14-21-16(23)20(13-19)17(24)22(18(21)25)15-39(29-35(7)8,30-36(9)10)31-37(11)12/h32-37H,13-15H2,1-12H3.
What are the key properties of 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione?
1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 694.28 g/mol, XLogP of 0.05, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3,5-bis[tris(dimethylsilyloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).