4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione

C11H10FNO2S — CID 5102084

IUPAC4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C11H10FNO2S/c12-9-3-1-8(2-4-9)5-13-10(14)6-16-7-11(13)15/h1-4H,5-7H2
InChIKeyWLVYDGIJUAYRSS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.43
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione

4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione (PubChem CID 5102084) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione
PubChem CID5102084
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C11H10FNO2S/c12-9-3-1-8(2-4-9)5-13-10(14)6-16-7-11(13)15/h1-4H,5-7H2
InChIKeyWLVYDGIJUAYRSS-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione?
The IUPAC name of 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione (CID 5102084) is 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione is O=C1CSCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione?
The InChIKey is WLVYDGIJUAYRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c12-9-3-1-8(2-4-9)5-13-10(14)6-16-7-11(13)15/h1-4H,5-7H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione?
4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione has a molecular weight of 239.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione is sourced from PubChem (CID 5102084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).