(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one

C11H9FO2 — CID 101127578

IUPAC(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one
SMILESO=C1OCC/C1=C\c1ccc(F)cc1
InChIInChI=1S/C11H9FO2/c12-10-3-1-8(2-4-10)7-9-5-6-14-11(9)13/h1-4,7H,5-6H2/b9-7+
InChIKeyKJOQBIQARWUHDF-VQHVLOKHSA-N
MW192.19 g/mol
LogP2.16
Rot. Bonds1

About (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one

(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one (PubChem CID 101127578) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one
PubChem CID101127578
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one
SMILESO=C1OCC/C1=C\c1ccc(F)cc1
InChIInChI=1S/C11H9FO2/c12-10-3-1-8(2-4-10)7-9-5-6-14-11(9)13/h1-4,7H,5-6H2/b9-7+
InChIKeyKJOQBIQARWUHDF-VQHVLOKHSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(3E)-3-[(4-methylphenyl)methylidene]oxolan-2-one
CID 6071028
(3E)-3-[(4-fluorophenyl)methylidene]-6-methyloxan-2-one
CID 132533075
(2E,7E)-2,7-bis[(4-fluorophenyl)methylidene]cycloheptan-1-one
CID 6308455
(3E)-3-[[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]methylidene]oxolan-2-one
CID 141034547
2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 54228214
3-[(4-fluorophenyl)methylidene]piperidin-2-one
CID 57351446
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
(3E)-3-[(2,6-dichlorophenyl)methylidene]oxolan-2-one
CID 171376642
4-[(4-fluorophenyl)methylidene]oxane
CID 20583144
(6E)-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 5396603
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one
CID 10869267
2,6-bis[(4-fluorophenyl)methylidene]-4-methylcyclohexan-1-one
CID 3564829

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one?
The IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one (CID 101127578) is (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one.
What is the SMILES notation for (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one?
The canonical SMILES for (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one is O=C1OCC/C1=C\c1ccc(F)cc1.
What is the InChIKey of (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one?
The InChIKey is KJOQBIQARWUHDF-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H9FO2/c12-10-3-1-8(2-4-10)7-9-5-6-14-11(9)13/h1-4,7H,5-6H2/b9-7+.
What are the key properties of (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one?
(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one has a molecular weight of 192.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one is sourced from PubChem (CID 101127578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).