diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane

C13H19F3O3Si — CID 90174295

IUPACdiethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
SMILESCCO[Si](CCc1cc(F)c(F)c(F)c1)(OC)OCC
InChIInChI=1S/C13H19F3O3Si/c1-4-18-20(17-3,19-5-2)7-6-10-8-11(14)13(16)12(15)9-10/h8-9H,4-7H2,1-3H3
InChIKeyCDHLGLBTWWYZDZ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.30
Rot. Bonds8

About diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane

diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane (PubChem CID 90174295) has the molecular formula C13H19F3O3Si and a molecular weight of 308.37 g/mol. Its IUPAC name is diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane.

Molecular Properties

Compound Namediethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
PubChem CID90174295
Molecular FormulaC13H19F3O3Si
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Namediethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
SMILESCCO[Si](CCc1cc(F)c(F)c(F)c1)(OC)OCC
InChIInChI=1S/C13H19F3O3Si/c1-4-18-20(17-3,19-5-2)7-6-10-8-11(14)13(16)12(15)9-10/h8-9H,4-7H2,1-3H3
InChIKeyCDHLGLBTWWYZDZ-UHFFFAOYSA-N
XLogP3.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane?
The IUPAC name of diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane (CID 90174295) is diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane.
What is the SMILES notation for diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane?
The canonical SMILES for diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane is CCO[Si](CCc1cc(F)c(F)c(F)c1)(OC)OCC.
What is the InChIKey of diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane?
The InChIKey is CDHLGLBTWWYZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3Si/c1-4-18-20(17-3,19-5-2)7-6-10-8-11(14)13(16)12(15)9-10/h8-9H,4-7H2,1-3H3.
What are the key properties of diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane?
diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane has a molecular weight of 308.37 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane is sourced from PubChem (CID 90174295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).