3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one

C11H9F2NO2S — CID 134963536

IUPAC3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one
SMILESO=C1SCCN1C(=O)[C@H](F)c1ccc(F)cc1
InChIInChI=1S/C11H9F2NO2S/c12-8-3-1-7(2-4-8)9(13)10(15)14-5-6-17-11(14)16/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyYSNVKKSTMXASQP-SECBINFHSA-N
MW257.26 g/mol
LogP2.53
Rot. Bonds2

About 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one

3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one (PubChem CID 134963536) has the molecular formula C11H9F2NO2S and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one
PubChem CID134963536
Molecular FormulaC11H9F2NO2S
Molecular Weight257.26 g/mol
Exact Mass257.03
IUPAC Name3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one
SMILESO=C1SCCN1C(=O)[C@H](F)c1ccc(F)cc1
InChIInChI=1S/C11H9F2NO2S/c12-8-3-1-7(2-4-8)9(13)10(15)14-5-6-17-11(14)16/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyYSNVKKSTMXASQP-SECBINFHSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one (CID 134963536) is 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one is O=C1SCCN1C(=O)[C@H](F)c1ccc(F)cc1.
What is the InChIKey of 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one?
The InChIKey is YSNVKKSTMXASQP-SECBINFHSA-N. The full InChI is InChI=1S/C11H9F2NO2S/c12-8-3-1-7(2-4-8)9(13)10(15)14-5-6-17-11(14)16/h1-4,9H,5-6H2/t9-/m1/s1.
What are the key properties of 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one?
3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one has a molecular weight of 257.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-fluoro-2-(4-fluorophenyl)acetyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 134963536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).