triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane

C15H23F3O3Si — CID 90170821

IUPACtriethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
SMILESCCO[Si](CCCc1cc(F)c(F)cc1F)(OCC)OCC
InChIInChI=1S/C15H23F3O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-12-10-14(17)15(18)11-13(12)16/h10-11H,4-9H2,1-3H3
InChIKeyANEWTIZVMIMTON-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.08
Rot. Bonds10

About triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane

triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane (PubChem CID 90170821) has the molecular formula C15H23F3O3Si and a molecular weight of 336.43 g/mol. Its IUPAC name is triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
PubChem CID90170821
Molecular FormulaC15H23F3O3Si
Molecular Weight336.43 g/mol
Exact Mass336.14
IUPAC Nametriethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
SMILESCCO[Si](CCCc1cc(F)c(F)cc1F)(OCC)OCC
InChIInChI=1S/C15H23F3O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-12-10-14(17)15(18)11-13(12)16/h10-11H,4-9H2,1-3H3
InChIKeyANEWTIZVMIMTON-UHFFFAOYSA-N
XLogP4.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
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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Related Compounds

tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170924
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90170863
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
CID 90172834
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The IUPAC name of triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane (CID 90170821) is triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The canonical SMILES for triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane is CCO[Si](CCCc1cc(F)c(F)cc1F)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
The InChIKey is ANEWTIZVMIMTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O3Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-12-10-14(17)15(18)11-13(12)16/h10-11H,4-9H2,1-3H3.
What are the key properties of triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane?
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane has a molecular weight of 336.43 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane is sourced from PubChem (CID 90170821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).