3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione

C14H7ClFNO2S — CID 110583072

IUPAC3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2cccs2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H7ClFNO2S/c15-12-11(10-2-1-7-20-10)13(18)17(14(12)19)9-5-3-8(16)4-6-9/h1-7H
InChIKeyJINVNFYCVITIRU-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.41
Rot. Bonds2

About 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110583072) has the molecular formula C14H7ClFNO2S and a molecular weight of 307.73 g/mol. Its IUPAC name is 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110583072
Molecular FormulaC14H7ClFNO2S
Molecular Weight307.73 g/mol
Exact Mass306.99
IUPAC Name3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2cccs2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H7ClFNO2S/c15-12-11(10-2-1-7-20-10)13(18)17(14(12)19)9-5-3-8(16)4-6-9/h1-7H
InChIKeyJINVNFYCVITIRU-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(3,5-dimethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583005
3-chloro-1-[4-(2-methylpropoxy)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583101
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553962
N-[4-[3-(4-fluoroanilino)-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl]phenyl]acetamide
CID 110591939
3-(2,3-dihydroindol-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553964
1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110580868
3-chloro-1-(2,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583116
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554523
3-(2,5-dimethoxyanilino)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591393
3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583044
3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110582148
1-(4-bromophenyl)-3-(3-fluoroanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110592194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110583072) is 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(Cl)=C(c2cccs2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is JINVNFYCVITIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO2S/c15-12-11(10-2-1-7-20-10)13(18)17(14(12)19)9-5-3-8(16)4-6-9/h1-7H.
What are the key properties of 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 307.73 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110583072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).