1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione

C20H45F4N3O11Si8 — CID 176847569

About 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione

1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847569) has the molecular formula C20H45F4N3O11Si8 and a molecular weight of 804.27 g/mol. Its IUPAC name is 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 176847569
• Molecular Formula: C20H45F4N3O11Si8
• Molecular Weight: 804.27 g/mol
• Exact Mass: 803.11
• IUPAC Name: 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
• SMILES: C[SiH]1O[SiH](C)O[Si](C)(CCCn2c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c(=O)n(CC(F)C(F)(F)F)c2=O)O[SiH](C)O1
• InChI: InChI=1S/C20H45F4N3O11Si8/c1-39-31-41(3)35-45(7,36-42(4)32-39)13-9-11-25-17(28)26(19(30)27(18(25)29)15-16(21)20(22,23)24)12-10-14-46(8)37-43(5)33-40(2)34-44(6)38-46/h16,39-44H,9-15H2,1-8H3
• InChIKey: CGQBWPFSXSNPDC-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 139.84 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.27
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 176847569) is 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione is C[SiH]1O[SiH](C)O[Si](C)(CCCn2c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c(=O)n(CC(F)C(F)(F)F)c2=O)O[SiH](C)O1.

What is the InChIKey of 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?

The InChIKey is CGQBWPFSXSNPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45F4N3O11Si8/c1-39-31-41(3)35-45(7,36-42(4)32-39)13-9-11-25-17(28)26(19(30)27(18(25)29)15-16(21)20(22,23)24)12-10-14-46(8)37-43(5)33-40(2)34-44(6)38-46/h16,39-44H,9-15H2,1-8H3.

What are the key properties of 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?

1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 804.27 g/mol, XLogP of 0.26, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3,3,3-tetrafluoropropyl)-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).