diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane

C12H16F4O2Si — CID 90174355

IUPACdiethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane
SMILESCCO[Si](C)(Cc1cc(F)c(F)c(F)c1F)OCC
InChIInChI=1S/C12H16F4O2Si/c1-4-17-19(3,18-5-2)7-8-6-9(13)11(15)12(16)10(8)14/h6H,4-5,7H2,1-3H3
InChIKeyAUKJUUFBKNHDFF-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.47
Rot. Bonds6

About diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane

diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane (PubChem CID 90174355) has the molecular formula C12H16F4O2Si and a molecular weight of 296.34 g/mol. Its IUPAC name is diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane
PubChem CID90174355
Molecular FormulaC12H16F4O2Si
Molecular Weight296.34 g/mol
Exact Mass296.09
IUPAC Namediethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane
SMILESCCO[Si](C)(Cc1cc(F)c(F)c(F)c1F)OCC
InChIInChI=1S/C12H16F4O2Si/c1-4-17-19(3,18-5-2)7-8-6-9(13)11(15)12(16)10(8)14/h6H,4-5,7H2,1-3H3
InChIKeyAUKJUUFBKNHDFF-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]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-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane?
The IUPAC name of diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane (CID 90174355) is diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane.
What is the SMILES notation for diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane?
The canonical SMILES for diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane is CCO[Si](C)(Cc1cc(F)c(F)c(F)c1F)OCC.
What is the InChIKey of diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane?
The InChIKey is AUKJUUFBKNHDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4O2Si/c1-4-17-19(3,18-5-2)7-8-6-9(13)11(15)12(16)10(8)14/h6H,4-5,7H2,1-3H3.
What are the key properties of diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane?
diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane has a molecular weight of 296.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane is sourced from PubChem (CID 90174355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).