1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

C24H39F10N3O11Si2 — CID 159130138

IUPAC1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCOC(n1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C24H39F10N3O11Si2/c1-9-47-16(21(27,28)23(31,32)48-24(33,34)22(29,30)20(2,25)26)37-18(39)35(12-10-14-49(41-3,42-4)43-5)17(38)36(19(37)40)13-11-15-50(44-6,45-7)46-8/h16H,9-15H2,1-8H3
InChIKeyMJJGPOVUDZZKTF-UHFFFAOYSA-N
MW791.74 g/mol
LogP3.37
Rot. Bonds23

About 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 159130138) has the molecular formula C24H39F10N3O11Si2 and a molecular weight of 791.74 g/mol. Its IUPAC name is 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID159130138
Molecular FormulaC24H39F10N3O11Si2
Molecular Weight791.74 g/mol
Exact Mass791.20
IUPAC Name1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCOC(n1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C24H39F10N3O11Si2/c1-9-47-16(21(27,28)23(31,32)48-24(33,34)22(29,30)20(2,25)26)37-18(39)35(12-10-14-49(41-3,42-4)43-5)17(38)36(19(37)40)13-11-15-50(44-6,45-7)46-8/h16H,9-15H2,1-8H3
InChIKeyMJJGPOVUDZZKTF-UHFFFAOYSA-N
XLogP3.37
TPSA139.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.74
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 159130138) is 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is CCOC(n1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is MJJGPOVUDZZKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39F10N3O11Si2/c1-9-47-16(21(27,28)23(31,32)48-24(33,34)22(29,30)20(2,25)26)37-18(39)35(12-10-14-49(41-3,42-4)43-5)17(38)36(19(37)40)13-11-15-50(44-6,45-7)46-8/h16H,9-15H2,1-8H3.
What are the key properties of 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 791.74 g/mol, XLogP of 3.37, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethoxy-2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 159130138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).