3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione

C11H7FO3 — CID 123467894

IUPAC3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione
SMILESO=C1CC(=Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C11H7FO3/c12-9-3-1-2-7(5-9)4-8-6-10(13)15-11(8)14/h1-5H,6H2
InChIKeyHAKAJDXPGIWPHM-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.68
Rot. Bonds1

About 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione

3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione (PubChem CID 123467894) has the molecular formula C11H7FO3 and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione
PubChem CID123467894
Molecular FormulaC11H7FO3
Molecular Weight206.17 g/mol
Exact Mass206.04
IUPAC Name3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione
SMILESO=C1CC(=Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C11H7FO3/c12-9-3-1-2-7(5-9)4-8-6-10(13)15-11(8)14/h1-5H,6H2
InChIKeyHAKAJDXPGIWPHM-UHFFFAOYSA-N
XLogP1.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(3-fluorophenyl)methylidene]cycloheptan-1-one
CID 5469550
(3E)-3-[(3-fluorophenyl)methylidene]-1-methylpyrrolidine-2,5-dione
CID 110458075
(3E)-3-[(2-fluorophenyl)methylidene]oxolane-2,5-dione
CID 82158362
(3Z,5E)-3,5-bis[(3-fluorophenyl)methylidene]-1-methylpiperidin-4-one
CID 8833143
3-[(3-fluorophenyl)methylidene]thian-4-one
CID 131874625
(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
CID 134149885
(2E,6E)-4-tert-butyl-2,6-bis[(3-fluorophenyl)methylidene]cyclohexan-1-one
CID 6283777
3-(thiophen-2-ylmethylidene)oxolane-2,5-dione
CID 54381733
(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602379
(2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535378
(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 5469394
4-[(3-fluorophenyl)methylidene]oxane
CID 165450645

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione?
The IUPAC name of 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione (CID 123467894) is 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione.
What is the SMILES notation for 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione?
The canonical SMILES for 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione is O=C1CC(=Cc2cccc(F)c2)C(=O)O1.
What is the InChIKey of 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione?
The InChIKey is HAKAJDXPGIWPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO3/c12-9-3-1-2-7(5-9)4-8-6-10(13)15-11(8)14/h1-5H,6H2.
What are the key properties of 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione?
3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione has a molecular weight of 206.17 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione is sourced from PubChem (CID 123467894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).