diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

C12H19F9O2Si — CID 22600761

IUPACdiethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESCCO[Si](CC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C12H19F9O2Si/c1-4-22-24(6-3,23-5-2)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3
InChIKeyONXUGMHZWBXDPQ-UHFFFAOYSA-N
MW394.35 g/mol
LogP5.38
Rot. Bonds10

About diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (PubChem CID 22600761) has the molecular formula C12H19F9O2Si and a molecular weight of 394.35 g/mol. Its IUPAC name is diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.

Molecular Properties

Compound Namediethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
PubChem CID22600761
Molecular FormulaC12H19F9O2Si
Molecular Weight394.35 g/mol
Exact Mass394.10
IUPAC Namediethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESCCO[Si](CC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C12H19F9O2Si/c1-4-22-24(6-3,23-5-2)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3
InChIKeyONXUGMHZWBXDPQ-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The IUPAC name of diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (CID 22600761) is diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.
What is the SMILES notation for diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is CCO[Si](CC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC.
What is the InChIKey of diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The InChIKey is ONXUGMHZWBXDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F9O2Si/c1-4-22-24(6-3,23-5-2)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3.
What are the key properties of diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane has a molecular weight of 394.35 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 22600761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).