(3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one

C17H13FO3 — CID 56590298

IUPAC(3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one
SMILESO=C1OCC[C@]1(C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H13FO3/c18-14-8-6-12(7-9-14)15(19)17(10-11-21-16(17)20)13-4-2-1-3-5-13/h1-9H,10-11H2/t17-/m1/s1
InChIKeyUYUWBVGWRYZFAN-QGZVFWFLSA-N
MW284.29 g/mol
LogP2.89
Rot. Bonds3

About (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one

(3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one (PubChem CID 56590298) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one
PubChem CID56590298
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name(3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one
SMILESO=C1OCC[C@]1(C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H13FO3/c18-14-8-6-12(7-9-14)15(19)17(10-11-21-16(17)20)13-4-2-1-3-5-13/h1-9H,10-11H2/t17-/m1/s1
InChIKeyUYUWBVGWRYZFAN-QGZVFWFLSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Benzoyldihydro-3H-furan-2-one
CID 229759
Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate
CID 2758844
Ethyl 2-(3-benzoylphenyl)propanoate
CID 9878873
Dihydro-3,3-diphenyl-2(3H)-furanone
CID 70393
3-Benzoyloxolan-2-one
CID 307945
Ethyl 3-(3-fluorophenyl)-3-oxopropanoate
CID 2063904
[2-(4-Fluorophenyl)-2-oxoethyl] 2-phenylacetate
CID 2355494
[(E)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate
CID 76331710
[(E)-2-benzoyl-3-(4-fluorophenyl)prop-2-enyl] acetate
CID 76335313
[(Z)-2-benzoyl-3-(2-fluorophenyl)prop-2-enyl] acetate
CID 118736205
Ethyl 3-(2-fluorophenyl)-3-oxopropanoate
CID 296342
3-(4-Fluorophenacyl)-1,3-dihydroisobenzofuran-1-one
CID 2731439

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one?
The IUPAC name of (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one (CID 56590298) is (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one.
What is the SMILES notation for (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one?
The canonical SMILES for (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one is O=C1OCC[C@]1(C(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one?
The InChIKey is UYUWBVGWRYZFAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13FO3/c18-14-8-6-12(7-9-14)15(19)17(10-11-21-16(17)20)13-4-2-1-3-5-13/h1-9H,10-11H2/t17-/m1/s1.
What are the key properties of (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one?
(3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one has a molecular weight of 284.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorobenzoyl)-3-phenyloxolan-2-one is sourced from PubChem (CID 56590298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).