triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane

C13H18F4O3Si — CID 146005065

IUPACtriethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane
SMILESCCO[Si](Cc1c(F)c(F)cc(F)c1F)(OCC)OCC
InChIInChI=1S/C13H18F4O3Si/c1-4-18-21(19-5-2,20-6-3)8-9-12(16)10(14)7-11(15)13(9)17/h7H,4-6,8H2,1-3H3
InChIKeyIKFXHACYEPMOOG-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.37
Rot. Bonds8

About triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane

triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane (PubChem CID 146005065) has the molecular formula C13H18F4O3Si and a molecular weight of 326.36 g/mol. Its IUPAC name is triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane.

Molecular Properties

Compound Nametriethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane
PubChem CID146005065
Molecular FormulaC13H18F4O3Si
Molecular Weight326.36 g/mol
Exact Mass326.10
IUPAC Nametriethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane
SMILESCCO[Si](Cc1c(F)c(F)cc(F)c1F)(OCC)OCC
InChIInChI=1S/C13H18F4O3Si/c1-4-18-21(19-5-2,20-6-3)8-9-12(16)10(14)7-11(15)13(9)17/h7H,4-6,8H2,1-3H3
InChIKeyIKFXHACYEPMOOG-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane?
The IUPAC name of triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane (CID 146005065) is triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane.
What is the SMILES notation for triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane?
The canonical SMILES for triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane is CCO[Si](Cc1c(F)c(F)cc(F)c1F)(OCC)OCC.
What is the InChIKey of triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane?
The InChIKey is IKFXHACYEPMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4O3Si/c1-4-18-21(19-5-2,20-6-3)8-9-12(16)10(14)7-11(15)13(9)17/h7H,4-6,8H2,1-3H3.
What are the key properties of triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane?
triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane has a molecular weight of 326.36 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(2,3,5,6-tetrafluorophenyl)methyl]silane is sourced from PubChem (CID 146005065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).