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

C16H17F3O3Si — CID 90170202

IUPACdiethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane
SMILESCCO[Si](O)(OCC)c1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C16H17F3O3Si/c1-3-21-23(20,22-4-2)12-7-5-11(6-8-12)13-9-15(18)16(19)10-14(13)17/h5-10,20H,3-4H2,1-2H3
InChIKeyQTKPPEPRVRDURB-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.98
Rot. Bonds6

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

diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane (PubChem CID 90170202) has the molecular formula C16H17F3O3Si and a molecular weight of 342.39 g/mol. Its IUPAC name is diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane.

Molecular Properties

Compound Namediethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane
PubChem CID90170202
Molecular FormulaC16H17F3O3Si
Molecular Weight342.39 g/mol
Exact Mass342.09
IUPAC Namediethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane
SMILESCCO[Si](O)(OCC)c1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C16H17F3O3Si/c1-3-21-23(20,22-4-2)12-7-5-11(6-8-12)13-9-15(18)16(19)10-14(13)17/h5-10,20H,3-4H2,1-2H3
InChIKeyQTKPPEPRVRDURB-UHFFFAOYSA-N
XLogP2.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.98
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'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane?
The IUPAC name of diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane (CID 90170202) is diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane.
What is the SMILES notation for diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane?
The canonical SMILES for diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane is CCO[Si](O)(OCC)c1ccc(-c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane?
The InChIKey is QTKPPEPRVRDURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O3Si/c1-3-21-23(20,22-4-2)12-7-5-11(6-8-12)13-9-15(18)16(19)10-14(13)17/h5-10,20H,3-4H2,1-2H3.
What are the key properties of diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane?
diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane has a molecular weight of 342.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-[4-(2,4,5-trifluorophenyl)phenyl]silane is sourced from PubChem (CID 90170202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).