2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one

C21H15F5OSi — CID 71343647

IUPAC2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one
SMILESO=C(C(F)(F)C(F)(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15F5OSi/c22-20(23,21(24,25)26)19(27)28(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyDRHYYTZTDONMMB-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.46
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one

2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one (PubChem CID 71343647) has the molecular formula C21H15F5OSi and a molecular weight of 406.43 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one
PubChem CID71343647
Molecular FormulaC21H15F5OSi
Molecular Weight406.43 g/mol
Exact Mass406.08
IUPAC Name2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one
SMILESO=C(C(F)(F)C(F)(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15F5OSi/c22-20(23,21(24,25)26)19(27)28(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyDRHYYTZTDONMMB-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one (CID 71343647) is 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one is O=C(C(F)(F)C(F)(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one?
The InChIKey is DRHYYTZTDONMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5OSi/c22-20(23,21(24,25)26)19(27)28(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one?
2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one has a molecular weight of 406.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one is sourced from PubChem (CID 71343647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).