trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane

C11H9F5Si — CID 10467969

IUPACtrimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H9F5Si/c1-17(2,3)5-4-6-7(12)9(14)11(16)10(15)8(6)13/h1-3H3
InChIKeyOHIRKWPMCLVZHL-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.61
Rot. Bonds

About trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane

trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane (PubChem CID 10467969) has the molecular formula C11H9F5Si and a molecular weight of 264.27 g/mol. Its IUPAC name is trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane
PubChem CID10467969
Molecular FormulaC11H9F5Si
Molecular Weight264.27 g/mol
Exact Mass264.04
IUPAC Nametrimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H9F5Si/c1-17(2,3)5-4-6-7(12)9(14)11(16)10(15)8(6)13/h1-3H3
InChIKeyOHIRKWPMCLVZHL-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane (CID 10467969) is trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane is C[Si](C)(C)C#Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane?
The InChIKey is OHIRKWPMCLVZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5Si/c1-17(2,3)5-4-6-7(12)9(14)11(16)10(15)8(6)13/h1-3H3.
What are the key properties of trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane?
trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane has a molecular weight of 264.27 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]silane is sourced from PubChem (CID 10467969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).