1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone

C23H21FOSi — CID 56648186

IUPAC1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C(\F)[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21FOSi/c1-18(25)20-15-13-19(14-16-20)17-23(24)26(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,1-2H3/b23-17+
InChIKeyVUXLSJLCWJNCIV-HAVVHWLPSA-N
MW360.50 g/mol
LogP4.63
Rot. Bonds5

About 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone

1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone (PubChem CID 56648186) has the molecular formula C23H21FOSi and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone
PubChem CID56648186
Molecular FormulaC23H21FOSi
Molecular Weight360.50 g/mol
Exact Mass360.13
IUPAC Name1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C(\F)[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21FOSi/c1-18(25)20-15-13-19(14-16-20)17-23(24)26(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,1-2H3/b23-17+
InChIKeyVUXLSJLCWJNCIV-HAVVHWLPSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone (CID 56648186) is 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone is CC(=O)c1ccc(/C=C(\F)[Si](C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone?
The InChIKey is VUXLSJLCWJNCIV-HAVVHWLPSA-N. The full InChI is InChI=1S/C23H21FOSi/c1-18(25)20-15-13-19(14-16-20)17-23(24)26(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,1-2H3/b23-17+.
What are the key properties of 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone?
1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone has a molecular weight of 360.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-fluoro-2-[methyl(diphenyl)silyl]ethenyl]phenyl]ethanone is sourced from PubChem (CID 56648186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).