1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione

C10H7F3N2O2 — CID 3737734

IUPAC1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)6-2-1-3-7(4-6)15-9(17)5-8(16)14-15/h1-4H,5H2,(H,14,16)
InChIKeyHQNAPLDGAXGKBS-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.47
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione

1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione (PubChem CID 3737734) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
PubChem CID3737734
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
SMILESO=C1CC(=O)N(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)6-2-1-3-7(4-6)15-9(17)5-8(16)14-15/h1-4H,5H2,(H,14,16)
InChIKeyHQNAPLDGAXGKBS-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione (CID 3737734) is 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione is O=C1CC(=O)N(c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione?
The InChIKey is HQNAPLDGAXGKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)6-2-1-3-7(4-6)15-9(17)5-8(16)14-15/h1-4H,5H2,(H,14,16).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione?
1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione has a molecular weight of 244.17 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione is sourced from PubChem (CID 3737734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).