diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane

C11H15F3O3Si — CID 90172411

IUPACdiethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane
SMILESCCO[Si](O)(Cc1cc(F)c(F)c(F)c1)OCC
InChIInChI=1S/C11H15F3O3Si/c1-3-16-18(15,17-4-2)7-8-5-9(12)11(14)10(13)6-8/h5-6,15H,3-4,7H2,1-2H3
InChIKeyPGTBTHSNVJDZSH-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.19
Rot. Bonds6

About diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane

diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane (PubChem CID 90172411) has the molecular formula C11H15F3O3Si and a molecular weight of 280.32 g/mol. Its IUPAC name is diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane.

Molecular Properties

Compound Namediethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane
PubChem CID90172411
Molecular FormulaC11H15F3O3Si
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Namediethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane
SMILESCCO[Si](O)(Cc1cc(F)c(F)c(F)c1)OCC
InChIInChI=1S/C11H15F3O3Si/c1-3-16-18(15,17-4-2)7-8-5-9(12)11(14)10(13)6-8/h5-6,15H,3-4,7H2,1-2H3
InChIKeyPGTBTHSNVJDZSH-UHFFFAOYSA-N
XLogP2.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
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-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane?
The IUPAC name of diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane (CID 90172411) is diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane.
What is the SMILES notation for diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane?
The canonical SMILES for diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane is CCO[Si](O)(Cc1cc(F)c(F)c(F)c1)OCC.
What is the InChIKey of diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane?
The InChIKey is PGTBTHSNVJDZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O3Si/c1-3-16-18(15,17-4-2)7-8-5-9(12)11(14)10(13)6-8/h5-6,15H,3-4,7H2,1-2H3.
What are the key properties of diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane?
diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane has a molecular weight of 280.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane is sourced from PubChem (CID 90172411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).