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

C10H13F3O3Si — CID 90174072

IUPAChydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
SMILESCO[Si](O)(CCc1cc(F)c(F)cc1F)OC
InChIInChI=1S/C10H13F3O3Si/c1-15-17(14,16-2)4-3-7-5-9(12)10(13)6-8(7)11/h5-6,14H,3-4H2,1-2H3
InChIKeyODWPXEFATFETHG-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.87
Rot. Bonds5

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

hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane (PubChem CID 90174072) has the molecular formula C10H13F3O3Si and a molecular weight of 266.29 g/mol. Its IUPAC name is hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane.

Molecular Properties

Compound Namehydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
PubChem CID90174072
Molecular FormulaC10H13F3O3Si
Molecular Weight266.29 g/mol
Exact Mass266.06
IUPAC Namehydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
SMILESCO[Si](O)(CCc1cc(F)c(F)cc1F)OC
InChIInChI=1S/C10H13F3O3Si/c1-15-17(14,16-2)4-3-7-5-9(12)10(13)6-8(7)11/h5-6,14H,3-4H2,1-2H3
InChIKeyODWPXEFATFETHG-UHFFFAOYSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]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 hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane?
The IUPAC name of hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane (CID 90174072) is hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane.
What is the SMILES notation for hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane?
The canonical SMILES for hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane is CO[Si](O)(CCc1cc(F)c(F)cc1F)OC.
What is the InChIKey of hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane?
The InChIKey is ODWPXEFATFETHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3Si/c1-15-17(14,16-2)4-3-7-5-9(12)10(13)6-8(7)11/h5-6,14H,3-4H2,1-2H3.
What are the key properties of hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane?
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane has a molecular weight of 266.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane is sourced from PubChem (CID 90174072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).