5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one

C25H21FO2Si — CID 72517605

IUPAC5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one
SMILESC[Si](OC1C=CC(=O)C1=Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21FO2Si/c1-29(21-8-4-2-5-9-21,22-10-6-3-7-11-22)28-25-17-16-24(27)23(25)18-19-12-14-20(26)15-13-19/h2-18,25H,1H3
InChIKeyXJOCYKNQCTXRRQ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.12
Rot. Bonds5

About 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one

5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 72517605) has the molecular formula C25H21FO2Si and a molecular weight of 400.53 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one
PubChem CID72517605
Molecular FormulaC25H21FO2Si
Molecular Weight400.53 g/mol
Exact Mass400.13
IUPAC Name5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one
SMILESC[Si](OC1C=CC(=O)C1=Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21FO2Si/c1-29(21-8-4-2-5-9-21,22-10-6-3-7-11-22)28-25-17-16-24(27)23(25)18-19-12-14-20(26)15-13-19/h2-18,25H,1H3
InChIKeyXJOCYKNQCTXRRQ-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one (CID 72517605) is 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one is C[Si](OC1C=CC(=O)C1=Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is XJOCYKNQCTXRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FO2Si/c1-29(21-8-4-2-5-9-21,22-10-6-3-7-11-22)28-25-17-16-24(27)23(25)18-19-12-14-20(26)15-13-19/h2-18,25H,1H3.
What are the key properties of 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one?
5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 400.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-4-[methyl(diphenyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 72517605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).