4-acetyl-5-(4-fluorophenyl)oxolan-2-one

C12H11FO3 — CID 3021196

IUPAC4-acetyl-5-(4-fluorophenyl)oxolan-2-one
SMILESCC(=O)C1CC(=O)OC1c1ccc(F)cc1
InChIInChI=1S/C12H11FO3/c1-7(14)10-6-11(15)16-12(10)8-2-4-9(13)5-3-8/h2-5,10,12H,6H2,1H3
InChIKeyZCULCUOXYAKBHY-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.02
Rot. Bonds2

About 4-acetyl-5-(4-fluorophenyl)oxolan-2-one

4-acetyl-5-(4-fluorophenyl)oxolan-2-one (PubChem CID 3021196) has the molecular formula C12H11FO3 and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-acetyl-5-(4-fluorophenyl)oxolan-2-one.

Molecular Properties

Compound Name4-acetyl-5-(4-fluorophenyl)oxolan-2-one
PubChem CID3021196
Molecular FormulaC12H11FO3
Molecular Weight222.22 g/mol
Exact Mass222.07
IUPAC Name4-acetyl-5-(4-fluorophenyl)oxolan-2-one
SMILESCC(=O)C1CC(=O)OC1c1ccc(F)cc1
InChIInChI=1S/C12H11FO3/c1-7(14)10-6-11(15)16-12(10)8-2-4-9(13)5-3-8/h2-5,10,12H,6H2,1H3
InChIKeyZCULCUOXYAKBHY-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034913
(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
CID 71428897
(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
CID 70259290
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
(2R,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034925
(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034924
5-oxo-2-(4-propan-2-ylphenyl)oxolane-3-carboxylic acid
CID 102547432
2-(3-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 102547443
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
(2R,3R)-5-oxo-2-phenyloxolane-3-carboxylic acid;1-phenylethanamine
CID 10131410
5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
CID 18715100

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-(4-fluorophenyl)oxolan-2-one?
The IUPAC name of 4-acetyl-5-(4-fluorophenyl)oxolan-2-one (CID 3021196) is 4-acetyl-5-(4-fluorophenyl)oxolan-2-one.
What is the SMILES notation for 4-acetyl-5-(4-fluorophenyl)oxolan-2-one?
The canonical SMILES for 4-acetyl-5-(4-fluorophenyl)oxolan-2-one is CC(=O)C1CC(=O)OC1c1ccc(F)cc1.
What is the InChIKey of 4-acetyl-5-(4-fluorophenyl)oxolan-2-one?
The InChIKey is ZCULCUOXYAKBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-7(14)10-6-11(15)16-12(10)8-2-4-9(13)5-3-8/h2-5,10,12H,6H2,1H3.
What are the key properties of 4-acetyl-5-(4-fluorophenyl)oxolan-2-one?
4-acetyl-5-(4-fluorophenyl)oxolan-2-one has a molecular weight of 222.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-(4-fluorophenyl)oxolan-2-one is sourced from PubChem (CID 3021196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).