1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione

C15H7ClF3NO3S — CID 110582802

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(O)=C(c2cccs2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H7ClF3NO3S/c16-9-4-3-7(6-8(9)15(17,18)19)20-13(22)11(12(21)14(20)23)10-2-1-5-24-10/h1-6,21H
InChIKeyHDYFTNZLTQPYCU-UHFFFAOYSA-N
MW373.74 g/mol
LogP4.26
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110582802) has the molecular formula C15H7ClF3NO3S and a molecular weight of 373.74 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110582802
Molecular FormulaC15H7ClF3NO3S
Molecular Weight373.74 g/mol
Exact Mass372.98
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(O)=C(c2cccs2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H7ClF3NO3S/c16-9-4-3-7(6-8(9)15(17,18)19)20-13(22)11(12(21)14(20)23)10-2-1-5-24-10/h1-6,21H
InChIKeyHDYFTNZLTQPYCU-UHFFFAOYSA-N
XLogP4.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.74
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione
CID 110582828
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 3729076
1-(3-chloro-4-methylphenyl)-3-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110592156
3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583072
3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584888
1-(3,4-dichlorophenyl)-3-(3,5-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591741
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110560426
3-hydroxy-1-(4-iodo-2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110582863
3-(3-chloro-2-methylanilino)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110591468
1-(3,4-dichlorophenyl)-3-(2,3-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591751
1-(3-chloro-4-fluorophenyl)-3-ethylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554524
butyl 3-(3-hydroxy-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)benzoate
CID 110582850

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione (CID 110582802) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(O)=C(c2cccs2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is HDYFTNZLTQPYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3NO3S/c16-9-4-3-7(6-8(9)15(17,18)19)20-13(22)11(12(21)14(20)23)10-2-1-5-24-10/h1-6,21H.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 373.74 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxy-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110582802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).