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

C11H6ClF3N2O2 — CID 102022157

IUPAC1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF3N2O2/c12-7-5-6(11(13,14)15)1-2-8(7)16-17-9(18)3-4-10(17)19/h1-5,16H
InChIKeyURTHIBLWPLGHEZ-UHFFFAOYSA-N
MW290.63 g/mol
LogP2.61
Rot. Bonds2

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

1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione (PubChem CID 102022157) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione
PubChem CID102022157
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF3N2O2/c12-7-5-6(11(13,14)15)1-2-8(7)16-17-9(18)3-4-10(17)19/h1-5,16H
InChIKeyURTHIBLWPLGHEZ-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 52.61
H-Bond Donors ≤ 51
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-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione (CID 102022157) is 1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione is O=C1C=CC(=O)N1Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The InChIKey is URTHIBLWPLGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-7-5-6(11(13,14)15)1-2-8(7)16-17-9(18)3-4-10(17)19/h1-5,16H.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione?
1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione has a molecular weight of 290.63 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 102022157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).