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

C13H19F3O3Si — CID 90172012

IUPACtriethoxy-[(3,4,5-trifluorophenyl)methyl]silane
SMILESCCO[Si](Cc1cc(F)c(F)c(F)c1)(OCC)OCC
InChIInChI=1S/C13H19F3O3Si/c1-4-17-20(18-5-2,19-6-3)9-10-7-11(14)13(16)12(15)8-10/h7-8H,4-6,9H2,1-3H3
InChIKeyULKPJTOYBSJPPW-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.23
Rot. Bonds8

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

triethoxy-[(3,4,5-trifluorophenyl)methyl]silane (PubChem CID 90172012) has the molecular formula C13H19F3O3Si and a molecular weight of 308.37 g/mol. Its IUPAC name is triethoxy-[(3,4,5-trifluorophenyl)methyl]silane.

Molecular Properties

Compound Nametriethoxy-[(3,4,5-trifluorophenyl)methyl]silane
PubChem CID90172012
Molecular FormulaC13H19F3O3Si
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Nametriethoxy-[(3,4,5-trifluorophenyl)methyl]silane
SMILESCCO[Si](Cc1cc(F)c(F)c(F)c1)(OCC)OCC
InChIInChI=1S/C13H19F3O3Si/c1-4-17-20(18-5-2,19-6-3)9-10-7-11(14)13(16)12(15)8-10/h7-8H,4-6,9H2,1-3H3
InChIKeyULKPJTOYBSJPPW-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
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
(3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane
CID 90170563
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174294
(2,6-difluorophenyl)methyl-triethoxysilane
CID 146004962
triethoxy-[(2-fluorophenyl)methyl]silane
CID 146004998
(3,4-diiodophenyl)methyl-triethoxysilane
CID 153491369
diethoxy-methyl-[(2,3,4,5-tetrafluorophenyl)methyl]silane
CID 90174355
(3,5-difluorophenyl)methyl-ethoxy-dimethylsilane
CID 90171411
(2-chloro-6-fluorophenyl)methyl-triethoxysilane
CID 146004919
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128

Frequently Asked Questions

What is the IUPAC name of triethoxy-[(3,4,5-trifluorophenyl)methyl]silane?
The IUPAC name of triethoxy-[(3,4,5-trifluorophenyl)methyl]silane (CID 90172012) is triethoxy-[(3,4,5-trifluorophenyl)methyl]silane.
What is the SMILES notation for triethoxy-[(3,4,5-trifluorophenyl)methyl]silane?
The canonical SMILES for triethoxy-[(3,4,5-trifluorophenyl)methyl]silane is CCO[Si](Cc1cc(F)c(F)c(F)c1)(OCC)OCC.
What is the InChIKey of triethoxy-[(3,4,5-trifluorophenyl)methyl]silane?
The InChIKey is ULKPJTOYBSJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3Si/c1-4-17-20(18-5-2,19-6-3)9-10-7-11(14)13(16)12(15)8-10/h7-8H,4-6,9H2,1-3H3.
What are the key properties of triethoxy-[(3,4,5-trifluorophenyl)methyl]silane?
triethoxy-[(3,4,5-trifluorophenyl)methyl]silane has a molecular weight of 308.37 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(3,4,5-trifluorophenyl)methyl]silane is sourced from PubChem (CID 90172012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).