ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane

C15H6F30O4Si — CID 174994640

About ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane

ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane (PubChem CID 174994640) has the molecular formula C15H6F30O4Si and a molecular weight of 848.23 g/mol. Its IUPAC name is ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane.

Molecular Properties

• Compound Name: ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane
• PubChem CID: 174994640
• Molecular Formula: C15H6F30O4Si
• Molecular Weight: 848.23 g/mol
• Exact Mass: 847.96
• IUPAC Name: ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane
• SMILES: CCO.FC(F)(F)O[Si](OC(F)(F)F)(OC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C13F30O3Si.C2H6O/c14-1(15,3(18,19)5(22,23)7(26,27)9(30,31)32)2(16,17)4(20,21)6(24,25)8(28,29)10(33,34)47(44-11(35,36)37,45-12(38,39)40)46-13(41,42)43;1-2-3/h;3H,2H2,1H3
• InChIKey: RIWAJWQQZDNDQT-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.23
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane?

The IUPAC name of ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane (CID 174994640) is ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane.

What is the SMILES notation for ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane?

The canonical SMILES for ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane is CCO.FC(F)(F)O[Si](OC(F)(F)F)(OC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(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 ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane?

The InChIKey is RIWAJWQQZDNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F30O3Si.C2H6O/c14-1(15,3(18,19)5(22,23)7(26,27)9(30,31)32)2(16,17)4(20,21)6(24,25)8(28,29)10(33,34)47(44-11(35,36)37,45-12(38,39)40)46-13(41,42)43;1-2-3/h;3H,2H2,1H3.

What are the key properties of ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane?

ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane has a molecular weight of 848.23 g/mol, XLogP of 9.35, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane is sourced from PubChem (CID 174994640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).