2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one

C25H21FO2Si — CID 91064825

IUPAC2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one
SMILESC[Si](OC1=CCC(=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/h2-15,17-18H,16H2,1H3
InChIKeyGOAXJHKJCWVWRW-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.47
Rot. Bonds5

About 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one

2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one (PubChem CID 91064825) has the molecular formula C25H21FO2Si and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one
PubChem CID91064825
Molecular FormulaC25H21FO2Si
Molecular Weight400.53 g/mol
Exact Mass400.13
IUPAC Name2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one
SMILESC[Si](OC1=CCC(=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/h2-15,17-18H,16H2,1H3
InChIKeyGOAXJHKJCWVWRW-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one (CID 91064825) is 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one is C[Si](OC1=CCC(=O)C1=Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one?
The InChIKey is GOAXJHKJCWVWRW-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/h2-15,17-18H,16H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one?
2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one has a molecular weight of 400.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]-3-[methyl(diphenyl)silyl]oxycyclopent-3-en-1-one is sourced from PubChem (CID 91064825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).