[2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate

C16H13FO3 — CID 2355494

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FO3/c17-14-8-6-13(7-9-14)15(18)11-20-16(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyPNFJZTMVHMCLHH-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.79
Rot. Bonds5

About [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate (PubChem CID 2355494) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate
PubChem CID2355494
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FO3/c17-14-8-6-13(7-9-14)15(18)11-20-16(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyPNFJZTMVHMCLHH-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate (CID 2355494) is [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate is O=C(Cc1ccccc1)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate?
The InChIKey is PNFJZTMVHMCLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c17-14-8-6-13(7-9-14)15(18)11-20-16(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate has a molecular weight of 272.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 2355494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).