trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate

C9H9F5O3SeSi — CID 14665837

IUPACtrimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate
SMILESC[Si](C)(C)O[Se](=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H9F5O3SeSi/c1-19(2,3)17-18(15,16)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3
InChIKeyQKJZWGAAHVNGRB-UHFFFAOYSA-N
MW367.20 g/mol
LogP2.24
Rot. Bonds3

About trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate

trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate (PubChem CID 14665837) has the molecular formula C9H9F5O3SeSi and a molecular weight of 367.20 g/mol. Its IUPAC name is trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate.

Molecular Properties

Compound Nametrimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate
PubChem CID14665837
Molecular FormulaC9H9F5O3SeSi
Molecular Weight367.20 g/mol
Exact Mass367.94
IUPAC Nametrimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate
SMILESC[Si](C)(C)O[Se](=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H9F5O3SeSi/c1-19(2,3)17-18(15,16)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3
InChIKeyQKJZWGAAHVNGRB-UHFFFAOYSA-N
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.24
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 trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate?
The IUPAC name of trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate (CID 14665837) is trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate.
What is the SMILES notation for trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate?
The canonical SMILES for trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate is C[Si](C)(C)O[Se](=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate?
The InChIKey is QKJZWGAAHVNGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5O3SeSi/c1-19(2,3)17-18(15,16)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3.
What are the key properties of trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate?
trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate has a molecular weight of 367.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,3,4,5,6-pentafluorobenzeneselenonate is sourced from PubChem (CID 14665837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).