4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione

C17H11FO4 — CID 4743268

IUPAC4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione
SMILESO=C1OC(c2ccc(F)cc2)C(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C17H11FO4/c18-12-8-6-11(7-9-12)16-13(15(20)17(21)22-16)14(19)10-4-2-1-3-5-10/h1-9,13,16H
InChIKeyPFSLZKBUKRSLBR-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.49
Rot. Bonds3

About 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione

4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione (PubChem CID 4743268) has the molecular formula C17H11FO4 and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione.

Molecular Properties

Compound Name4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione
PubChem CID4743268
Molecular FormulaC17H11FO4
Molecular Weight298.27 g/mol
Exact Mass298.06
IUPAC Name4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione
SMILESO=C1OC(c2ccc(F)cc2)C(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C17H11FO4/c18-12-8-6-11(7-9-12)16-13(15(20)17(21)22-16)14(19)10-4-2-1-3-5-10/h1-9,13,16H
InChIKeyPFSLZKBUKRSLBR-UHFFFAOYSA-N
XLogP2.49
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione?
The IUPAC name of 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione (CID 4743268) is 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione.
What is the SMILES notation for 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione?
The canonical SMILES for 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione is O=C1OC(c2ccc(F)cc2)C(C(=O)c2ccccc2)C1=O.
What is the InChIKey of 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione?
The InChIKey is PFSLZKBUKRSLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO4/c18-12-8-6-11(7-9-12)16-13(15(20)17(21)22-16)14(19)10-4-2-1-3-5-10/h1-9,13,16H.
What are the key properties of 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione?
4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione has a molecular weight of 298.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-5-(4-fluorophenyl)oxolane-2,3-dione is sourced from PubChem (CID 4743268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).