triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane

C13H17F5O3Si — CID 87444472

IUPACtriethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane
SMILESCCO[Si](OCC)(OCC)C(F)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5O3Si/c1-4-19-22(20-5-2,21-6-3)13(18)8-7-9(14)11(16)12(17)10(8)15/h7,13H,4-6H2,1-3H3
InChIKeyXSNQEQKYNDOSGI-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.84
Rot. Bonds8

About triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane

triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane (PubChem CID 87444472) has the molecular formula C13H17F5O3Si and a molecular weight of 344.35 g/mol. Its IUPAC name is triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane.

Molecular Properties

Compound Nametriethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane
PubChem CID87444472
Molecular FormulaC13H17F5O3Si
Molecular Weight344.35 g/mol
Exact Mass344.09
IUPAC Nametriethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane
SMILESCCO[Si](OCC)(OCC)C(F)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H17F5O3Si/c1-4-19-22(20-5-2,21-6-3)13(18)8-7-9(14)11(16)12(17)10(8)15/h7,13H,4-6H2,1-3H3
InChIKeyXSNQEQKYNDOSGI-UHFFFAOYSA-N
XLogP3.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane?
The IUPAC name of triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane (CID 87444472) is triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane.
What is the SMILES notation for triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane?
The canonical SMILES for triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane is CCO[Si](OCC)(OCC)C(F)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane?
The InChIKey is XSNQEQKYNDOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5O3Si/c1-4-19-22(20-5-2,21-6-3)13(18)8-7-9(14)11(16)12(17)10(8)15/h7,13H,4-6H2,1-3H3.
What are the key properties of triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane?
triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane has a molecular weight of 344.35 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane is sourced from PubChem (CID 87444472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).