trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane

C16H18F4Si2 — CID 145191695

IUPACtrimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c(F)c(F)c(C#C[Si](C)(C)C)c(F)c1F
InChIInChI=1S/C16H18F4Si2/c1-21(2,3)9-7-11-13(17)15(19)12(16(20)14(11)18)8-10-22(4,5)6/h1-6H3
InChIKeyZFWWRDMCFIMYRP-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.70
Rot. Bonds

About trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane

trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane (PubChem CID 145191695) has the molecular formula C16H18F4Si2 and a molecular weight of 342.48 g/mol. Its IUPAC name is trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
PubChem CID145191695
Molecular FormulaC16H18F4Si2
Molecular Weight342.48 g/mol
Exact Mass342.09
IUPAC Nametrimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c(F)c(F)c(C#C[Si](C)(C)C)c(F)c1F
InChIInChI=1S/C16H18F4Si2/c1-21(2,3)9-7-11-13(17)15(19)12(16(20)14(11)18)8-10-22(4,5)6/h1-6H3
InChIKeyZFWWRDMCFIMYRP-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane (CID 145191695) is trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1c(F)c(F)c(C#C[Si](C)(C)C)c(F)c1F.
What is the InChIKey of trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The InChIKey is ZFWWRDMCFIMYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4Si2/c1-21(2,3)9-7-11-13(17)15(19)12(16(20)14(11)18)8-10-22(4,5)6/h1-6H3.
What are the key properties of trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane has a molecular weight of 342.48 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane is sourced from PubChem (CID 145191695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).