1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione

C11H7F2NO2S — CID 880043

IUPAC1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(SC(F)F)cc1
InChIInChI=1S/C11H7F2NO2S/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6,11H
InChIKeyZIEKEFYFBUWELP-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.43
Rot. Bonds3

About 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione

1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione (PubChem CID 880043) has the molecular formula C11H7F2NO2S and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione
PubChem CID880043
Molecular FormulaC11H7F2NO2S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(SC(F)F)cc1
InChIInChI=1S/C11H7F2NO2S/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6,11H
InChIKeyZIEKEFYFBUWELP-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.43
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 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione (CID 880043) is 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(SC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione?
The InChIKey is ZIEKEFYFBUWELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6,11H.
What are the key properties of 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione?
1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione has a molecular weight of 255.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 880043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).