triphenyl(3,3,3-trifluoroprop-1-ynyl)silane

C21H15F3Si — CID 71442915

IUPACtriphenyl(3,3,3-trifluoroprop-1-ynyl)silane
SMILESFC(F)(F)C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15F3Si/c22-21(23,24)16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H
InChIKeyZYNDKJCURLQVDT-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.26
Rot. Bonds3

About triphenyl(3,3,3-trifluoroprop-1-ynyl)silane

triphenyl(3,3,3-trifluoroprop-1-ynyl)silane (PubChem CID 71442915) has the molecular formula C21H15F3Si and a molecular weight of 352.43 g/mol. Its IUPAC name is triphenyl(3,3,3-trifluoroprop-1-ynyl)silane.

Molecular Properties

Compound Nametriphenyl(3,3,3-trifluoroprop-1-ynyl)silane
PubChem CID71442915
Molecular FormulaC21H15F3Si
Molecular Weight352.43 g/mol
Exact Mass352.09
IUPAC Nametriphenyl(3,3,3-trifluoroprop-1-ynyl)silane
SMILESFC(F)(F)C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15F3Si/c22-21(23,24)16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H
InChIKeyZYNDKJCURLQVDT-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl(3,3,3-trifluoroprop-1-ynyl)silane?
The IUPAC name of triphenyl(3,3,3-trifluoroprop-1-ynyl)silane (CID 71442915) is triphenyl(3,3,3-trifluoroprop-1-ynyl)silane.
What is the SMILES notation for triphenyl(3,3,3-trifluoroprop-1-ynyl)silane?
The canonical SMILES for triphenyl(3,3,3-trifluoroprop-1-ynyl)silane is FC(F)(F)C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(3,3,3-trifluoroprop-1-ynyl)silane?
The InChIKey is ZYNDKJCURLQVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3Si/c22-21(23,24)16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H.
What are the key properties of triphenyl(3,3,3-trifluoroprop-1-ynyl)silane?
triphenyl(3,3,3-trifluoroprop-1-ynyl)silane has a molecular weight of 352.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(3,3,3-trifluoroprop-1-ynyl)silane is sourced from PubChem (CID 71442915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).