4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one

C16H11FO4 — CID 75988258

IUPAC4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one
SMILESO=C1OC(C(=O)c2ccccc2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C16H11FO4/c17-12-8-6-11(7-9-12)14-15(21-16(19)20-14)13(18)10-4-2-1-3-5-10/h1-9,14-15H
InChIKeyAORHRHFKSGTGCZ-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.29
Rot. Bonds3

About 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one

4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one (PubChem CID 75988258) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one
PubChem CID75988258
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one
SMILESO=C1OC(C(=O)c2ccccc2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C16H11FO4/c17-12-8-6-11(7-9-12)14-15(21-16(19)20-14)13(18)10-4-2-1-3-5-10/h1-9,14-15H
InChIKeyAORHRHFKSGTGCZ-UHFFFAOYSA-N
XLogP3.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one (CID 75988258) is 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one is O=C1OC(C(=O)c2ccccc2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one?
The InChIKey is AORHRHFKSGTGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-12-8-6-11(7-9-12)14-15(21-16(19)20-14)13(18)10-4-2-1-3-5-10/h1-9,14-15H.
What are the key properties of 4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one?
4-benzoyl-5-(4-fluorophenyl)-1,3-dioxolan-2-one has a molecular weight of 286.26 g/mol, XLogP of 3.29, 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)-1,3-dioxolan-2-one is sourced from PubChem (CID 75988258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).