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

C12H17F3O3Si — CID 90174294

IUPACdiethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
SMILESCCO[Si](O)(CCc1cc(F)c(F)c(F)c1)OCC
InChIInChI=1S/C12H17F3O3Si/c1-3-17-19(16,18-4-2)6-5-9-7-10(13)12(15)11(14)8-9/h7-8,16H,3-6H2,1-2H3
InChIKeyNKVBKJRGUQHTKS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.65
Rot. Bonds7

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

diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane (PubChem CID 90174294) has the molecular formula C12H17F3O3Si and a molecular weight of 294.35 g/mol. Its IUPAC name is diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane.

Molecular Properties

Compound Namediethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
PubChem CID90174294
Molecular FormulaC12H17F3O3Si
Molecular Weight294.35 g/mol
Exact Mass294.09
IUPAC Namediethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
SMILESCCO[Si](O)(CCc1cc(F)c(F)c(F)c1)OCC
InChIInChI=1S/C12H17F3O3Si/c1-3-17-19(16,18-4-2)6-5-9-7-10(13)12(15)11(14)8-9/h7-8,16H,3-6H2,1-2H3
InChIKeyNKVBKJRGUQHTKS-UHFFFAOYSA-N
XLogP2.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.65
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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Related Compounds

diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane
CID 90172411
diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174295
triethoxy-[(3,4,5-trifluorophenyl)methyl]silane
CID 90172012
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
CID 90175118
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541
3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane
CID 90172780
6-(3,4,5-trifluorophenyl)hexan-1-ol
CID 174855228
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
3-methoxy-5-[2-(3,4,5-trifluorophenyl)ethyl]benzene-1,2-diol
CID 67960854
diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane
CID 90174355

Frequently Asked Questions

What is the IUPAC name of diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane?
The IUPAC name of diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane (CID 90174294) is diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane.
What is the SMILES notation for diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane?
The canonical SMILES for diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane is CCO[Si](O)(CCc1cc(F)c(F)c(F)c1)OCC.
What is the InChIKey of diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane?
The InChIKey is NKVBKJRGUQHTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O3Si/c1-3-17-19(16,18-4-2)6-5-9-7-10(13)12(15)11(14)8-9/h7-8,16H,3-6H2,1-2H3.
What are the key properties of diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane?
diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane has a molecular weight of 294.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane is sourced from PubChem (CID 90174294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).