triethoxy-(2,3,4,5,6-pentafluorophenyl)silane

C12H15F5O3Si — CID 2782625

IUPACtriethoxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCO[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F5O3Si/c1-4-18-21(19-5-2,20-6-3)12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3
InChIKeyQALDFNLNVLQDSP-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.64
Rot. Bonds7

About triethoxy-(2,3,4,5,6-pentafluorophenyl)silane

triethoxy-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 2782625) has the molecular formula C12H15F5O3Si and a molecular weight of 330.33 g/mol. Its IUPAC name is triethoxy-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Nametriethoxy-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID2782625
Molecular FormulaC12H15F5O3Si
Molecular Weight330.33 g/mol
Exact Mass330.07
IUPAC Nametriethoxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCO[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F5O3Si/c1-4-18-21(19-5-2,20-6-3)12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3
InChIKeyQALDFNLNVLQDSP-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.64
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-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of triethoxy-(2,3,4,5,6-pentafluorophenyl)silane (CID 2782625) is triethoxy-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for triethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for triethoxy-(2,3,4,5,6-pentafluorophenyl)silane is CCO[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of triethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is QALDFNLNVLQDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5O3Si/c1-4-18-21(19-5-2,20-6-3)12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3.
What are the key properties of triethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
triethoxy-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 330.33 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 2782625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).