1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C11H5ClF3NO2 — CID 3729076

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H5ClF3NO2/c12-8-2-1-6(5-7(8)11(13,14)15)16-9(17)3-4-10(16)18/h1-5H
InChIKeyFMMLGUZGAARYJV-UHFFFAOYSA-N
MW275.61 g/mol
LogP2.79
Rot. Bonds1

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

1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 3729076) has the molecular formula C11H5ClF3NO2 and a molecular weight of 275.61 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID3729076
Molecular FormulaC11H5ClF3NO2
Molecular Weight275.61 g/mol
Exact Mass275.00
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H5ClF3NO2/c12-8-2-1-6(5-7(8)11(13,14)15)16-9(17)3-4-10(16)18/h1-5H
InChIKeyFMMLGUZGAARYJV-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.61
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 126243563
(3aR,7aR)-2-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1005425
(3aR,7aS)-2-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1005426
2-[4-chloro-3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3508914
1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 67016587
(3aS,4R,7S,7aS)-2-[4-chloro-3-(trifluoromethyl)phenyl]-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 6979281
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione
CID 112708489
(15S,19R)-1,8-dibromo-17-[4-chloro-3-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 98104208
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole
CID 4715179
(1R,2S,6S,7R,8S,10R)-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 100811571
1-[4-[4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 156554608

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 3729076) is 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is FMMLGUZGAARYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO2/c12-8-2-1-6(5-7(8)11(13,14)15)16-9(17)3-4-10(16)18/h1-5H.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 275.61 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 3729076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).