1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione

C10H6F3NO2 — CID 62809349

IUPAC1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cc(F)c(F)c(F)c2)C1=O
InChIInChI=1S/C10H6F3NO2/c11-6-3-5(4-7(12)9(6)13)14-2-1-8(15)10(14)16/h3-4H,1-2H2
InChIKeyGNQBYOFNZJVYHD-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.41
Rot. Bonds1

About 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione

1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione (PubChem CID 62809349) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione
PubChem CID62809349
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cc(F)c(F)c(F)c2)C1=O
InChIInChI=1S/C10H6F3NO2/c11-6-3-5(4-7(12)9(6)13)14-2-1-8(15)10(14)16/h3-4H,1-2H2
InChIKeyGNQBYOFNZJVYHD-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione (CID 62809349) is 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione is O=C1CCN(c2cc(F)c(F)c(F)c2)C1=O.
What is the InChIKey of 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione?
The InChIKey is GNQBYOFNZJVYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-6-3-5(4-7(12)9(6)13)14-2-1-8(15)10(14)16/h3-4H,1-2H2.
What are the key properties of 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione?
1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione has a molecular weight of 229.16 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 62809349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).