5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one

C14H9FO2S — CID 86699215

IUPAC5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one
SMILESO=C(c1ccc(F)cc1)C1Cc2sccc2C1=O
InChIInChI=1S/C14H9FO2S/c15-9-3-1-8(2-4-9)13(16)11-7-12-10(14(11)17)5-6-18-12/h1-6,11H,7H2
InChIKeyAXPNGXAQDFKWKU-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.13
Rot. Bonds2

About 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one

5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one (PubChem CID 86699215) has the molecular formula C14H9FO2S and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one.

Molecular Properties

Compound Name5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one
PubChem CID86699215
Molecular FormulaC14H9FO2S
Molecular Weight260.29 g/mol
Exact Mass260.03
IUPAC Name5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one
SMILESO=C(c1ccc(F)cc1)C1Cc2sccc2C1=O
InChIInChI=1S/C14H9FO2S/c15-9-3-1-8(2-4-9)13(16)11-7-12-10(14(11)17)5-6-18-12/h1-6,11H,7H2
InChIKeyAXPNGXAQDFKWKU-UHFFFAOYSA-N
XLogP3.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one?
The IUPAC name of 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one (CID 86699215) is 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one.
What is the SMILES notation for 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one?
The canonical SMILES for 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one is O=C(c1ccc(F)cc1)C1Cc2sccc2C1=O.
What is the InChIKey of 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one?
The InChIKey is AXPNGXAQDFKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2S/c15-9-3-1-8(2-4-9)13(16)11-7-12-10(14(11)17)5-6-18-12/h1-6,11H,7H2.
What are the key properties of 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one?
5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one has a molecular weight of 260.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorobenzoyl)-5,6-dihydrocyclopenta[b]thiophen-4-one is sourced from PubChem (CID 86699215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).