[2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate

C17H15FO3S — CID 2379120

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate
SMILESO=C(CCSc1ccccc1)OCC(=O)c1ccccc1F
InChIInChI=1S/C17H15FO3S/c18-15-9-5-4-8-14(15)16(19)12-21-17(20)10-11-22-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyIWMXPKJLZPJGHT-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.73
Rot. Bonds7

About [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate

[2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate (PubChem CID 2379120) has the molecular formula C17H15FO3S and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate
PubChem CID2379120
Molecular FormulaC17H15FO3S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate
SMILESO=C(CCSc1ccccc1)OCC(=O)c1ccccc1F
InChIInChI=1S/C17H15FO3S/c18-15-9-5-4-8-14(15)16(19)12-21-17(20)10-11-22-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyIWMXPKJLZPJGHT-UHFFFAOYSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate (CID 2379120) is [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate is O=C(CCSc1ccccc1)OCC(=O)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The InChIKey is IWMXPKJLZPJGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3S/c18-15-9-5-4-8-14(15)16(19)12-21-17(20)10-11-22-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate?
[2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate has a molecular weight of 318.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] 3-phenylsulfanylpropanoate is sourced from PubChem (CID 2379120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).