1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one

C23H23FOSi — CID 162475266

IUPAC1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1ccc([Si](F)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23FOSi/c1-18(2)23(25)17-19-13-15-22(16-14-19)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,17H2,1-2H3
InChIKeyCGIAITWCZGMLFL-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.39
Rot. Bonds6

About 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one

1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one (PubChem CID 162475266) has the molecular formula C23H23FOSi and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one
PubChem CID162475266
Molecular FormulaC23H23FOSi
Molecular Weight362.52 g/mol
Exact Mass362.15
IUPAC Name1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1ccc([Si](F)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23FOSi/c1-18(2)23(25)17-19-13-15-22(16-14-19)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,17H2,1-2H3
InChIKeyCGIAITWCZGMLFL-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one?
The IUPAC name of 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one (CID 162475266) is 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one is CC(C)C(=O)Cc1ccc([Si](F)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one?
The InChIKey is CGIAITWCZGMLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FOSi/c1-18(2)23(25)17-19-13-15-22(16-14-19)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,17H2,1-2H3.
What are the key properties of 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one?
1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one has a molecular weight of 362.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one is sourced from PubChem (CID 162475266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).