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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Related Compounds

(4S,5R)-5-benzoyl-4-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 57333501
(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034913
[(2S,4R,5R)-2-benzoyl-5-(4-fluorobenzoyl)-1,3-dioxolan-4-yl]-phenylmethanone
CID 25112566
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
2-(4-fluorobenzoyl)indene-1,3-dione
CID 122369754
(4R,5S)-5-(4-fluorophenyl)-3-methylidene-4-phenyloxolan-2-one
CID 11357655
(4-fluorophenyl)-phenylmethanone
CID 161464622
4-benzoyl-1,3-dioxetan-2-one
CID 139798399
(4-fluorophenyl)-(1-methyl-3-phenylaziridin-2-yl)methanone
CID 166441417
3-benzoyl-6,6-dimethyl-2-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-one
CID 102136475
(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 57333457
3-benzoyl-2-methyl-2,3-dihydrochromen-4-one
CID 3420665

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).