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

C11H5ClF3NO2 — CID 116700364

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H5ClF3NO2/c12-7-3-6(11(13,14)15)4-8(5-7)16-9(17)1-2-10(16)18/h1-5H
InChIKeyQYFXMXDQDWXYPB-UHFFFAOYSA-N
MW275.61 g/mol
LogP2.79
Rot. Bonds1

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

1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 116700364) has the molecular formula C11H5ClF3NO2 and a molecular weight of 275.61 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID116700364
Molecular FormulaC11H5ClF3NO2
Molecular Weight275.61 g/mol
Exact Mass275.00
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H5ClF3NO2/c12-7-3-6(11(13,14)15)4-8(5-7)16-9(17)1-2-10(16)18/h1-5H
InChIKeyQYFXMXDQDWXYPB-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 116700364) is 1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is QYFXMXDQDWXYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO2/c12-7-3-6(11(13,14)15)4-8(5-7)16-9(17)1-2-10(16)18/h1-5H.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
1-[3-chloro-5-(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-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 116700364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).