chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

C14H5ClF26OSi — CID 23523530

About chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane (PubChem CID 23523530) has the molecular formula C14H5ClF26OSi and a molecular weight of 746.68 g/mol. Its IUPAC name is chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane.

Molecular Properties

• Compound Name: chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
• PubChem CID: 23523530
• Molecular Formula: C14H5ClF26OSi
• Molecular Weight: 746.68 g/mol
• Exact Mass: 745.94
• IUPAC Name: chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
• SMILES: CCO[Si](Cl)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C14H5ClF26OSi/c1-2-42-43(15,13(38,39)9(28,29)5(20,21)3(16,17)7(24,25)11(32,33)34)14(40,41)10(30,31)6(22,23)4(18,19)8(26,27)12(35,36)37/h2H2,1H3
• InChIKey: WNOILDBLTYAUQX-UHFFFAOYSA-N
• XLogP: 9.26
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.68
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?

The IUPAC name of chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane (CID 23523530) is chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane.

What is the SMILES notation for chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?

The canonical SMILES for chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane is CCO[Si](Cl)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?

The InChIKey is WNOILDBLTYAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5ClF26OSi/c1-2-42-43(15,13(38,39)9(28,29)5(20,21)3(16,17)7(24,25)11(32,33)34)14(40,41)10(30,31)6(22,23)4(18,19)8(26,27)12(35,36)37/h2H2,1H3.

What are the key properties of chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?

chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane has a molecular weight of 746.68 g/mol, XLogP of 9.26, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane is sourced from PubChem (CID 23523530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).