4-(2,4-difluorophenyl)thiomorpholine-3,5-dione

C10H7F2NO2S — CID 2732309

IUPAC4-(2,4-difluorophenyl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C10H7F2NO2S/c11-6-1-2-8(7(12)3-6)13-9(14)4-16-5-10(13)15/h1-3H,4-5H2
InChIKeyPRYYBDUKFAZANF-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.57
Rot. Bonds1

About 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione

4-(2,4-difluorophenyl)thiomorpholine-3,5-dione (PubChem CID 2732309) has the molecular formula C10H7F2NO2S and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)thiomorpholine-3,5-dione
PubChem CID2732309
Molecular FormulaC10H7F2NO2S
Molecular Weight243.23 g/mol
Exact Mass243.02
IUPAC Name4-(2,4-difluorophenyl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C10H7F2NO2S/c11-6-1-2-8(7(12)3-6)13-9(14)4-16-5-10(13)15/h1-3H,4-5H2
InChIKeyPRYYBDUKFAZANF-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.57
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-(2,4-difluorophenyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione (CID 2732309) is 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione is O=C1CSCC(=O)N1c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione?
The InChIKey is PRYYBDUKFAZANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2S/c11-6-1-2-8(7(12)3-6)13-9(14)4-16-5-10(13)15/h1-3H,4-5H2.
What are the key properties of 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione?
4-(2,4-difluorophenyl)thiomorpholine-3,5-dione has a molecular weight of 243.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 2732309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).