3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc

C6H3F6NO2Zn — CID 175254452

IUPAC3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc
SMILESO=C1NC(=O)C(C(F)(F)F)C1C(F)(F)F.[Zn]
InChIInChI=1S/C6H3F6NO2.Zn/c7-5(8,9)1-2(6(10,11)12)4(15)13-3(1)14;/h1-2H,(H,13,14,15);
InChIKeyBSPNOAAQXAMGLH-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.00
Rot. Bonds

About 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc

3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc (PubChem CID 175254452) has the molecular formula C6H3F6NO2Zn and a molecular weight of 300.47 g/mol. Its IUPAC name is 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc.

Molecular Properties

Compound Name3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc
PubChem CID175254452
Molecular FormulaC6H3F6NO2Zn
Molecular Weight300.47 g/mol
Exact Mass298.94
IUPAC Name3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc
SMILESO=C1NC(=O)C(C(F)(F)F)C1C(F)(F)F.[Zn]
InChIInChI=1S/C6H3F6NO2.Zn/c7-5(8,9)1-2(6(10,11)12)4(15)13-3(1)14;/h1-2H,(H,13,14,15);
InChIKeyBSPNOAAQXAMGLH-UHFFFAOYSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc?
The IUPAC name of 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc (CID 175254452) is 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc.
What is the SMILES notation for 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc?
The canonical SMILES for 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc is O=C1NC(=O)C(C(F)(F)F)C1C(F)(F)F.[Zn].
What is the InChIKey of 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc?
The InChIKey is BSPNOAAQXAMGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6NO2.Zn/c7-5(8,9)1-2(6(10,11)12)4(15)13-3(1)14;/h1-2H,(H,13,14,15);.
What are the key properties of 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc?
3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc has a molecular weight of 300.47 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc is sourced from PubChem (CID 175254452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).