lithium;pyrrolidine-2,5-dione;trifluoromethane

C5H5F3LiNO2 — CID 157099181

IUPAClithium;pyrrolidine-2,5-dione;trifluoromethane
SMILESF[C-](F)F.O=C1CCC(=O)N1.[Li+]
InChIInChI=1S/C4H5NO2.CF3.Li/c6-3-1-2-4(7)5-3;2-1(3)4;/h1-2H2,(H,5,6,7);;/q;-1;+1
InChIKeyWHCWPDJLCVRUFQ-UHFFFAOYSA-N
MW175.03 g/mol
LogP-2.23
Rot. Bonds

About lithium;pyrrolidine-2,5-dione;trifluoromethane

lithium;pyrrolidine-2,5-dione;trifluoromethane (PubChem CID 157099181) has the molecular formula C5H5F3LiNO2 and a molecular weight of 175.03 g/mol. Its IUPAC name is lithium;pyrrolidine-2,5-dione;trifluoromethane.

Molecular Properties

Compound Namelithium;pyrrolidine-2,5-dione;trifluoromethane
PubChem CID157099181
Molecular FormulaC5H5F3LiNO2
Molecular Weight175.03 g/mol
Exact Mass175.04
IUPAC Namelithium;pyrrolidine-2,5-dione;trifluoromethane
SMILESF[C-](F)F.O=C1CCC(=O)N1.[Li+]
InChIInChI=1S/C4H5NO2.CF3.Li/c6-3-1-2-4(7)5-3;2-1(3)4;/h1-2H2,(H,5,6,7);;/q;-1;+1
InChIKeyWHCWPDJLCVRUFQ-UHFFFAOYSA-N
XLogP-2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;pyrrolidine-2,5-dione;trifluoromethane?
The IUPAC name of lithium;pyrrolidine-2,5-dione;trifluoromethane (CID 157099181) is lithium;pyrrolidine-2,5-dione;trifluoromethane.
What is the SMILES notation for lithium;pyrrolidine-2,5-dione;trifluoromethane?
The canonical SMILES for lithium;pyrrolidine-2,5-dione;trifluoromethane is F[C-](F)F.O=C1CCC(=O)N1.[Li+].
What is the InChIKey of lithium;pyrrolidine-2,5-dione;trifluoromethane?
The InChIKey is WHCWPDJLCVRUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.CF3.Li/c6-3-1-2-4(7)5-3;2-1(3)4;/h1-2H2,(H,5,6,7);;/q;-1;+1.
What are the key properties of lithium;pyrrolidine-2,5-dione;trifluoromethane?
lithium;pyrrolidine-2,5-dione;trifluoromethane has a molecular weight of 175.03 g/mol, XLogP of -2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;pyrrolidine-2,5-dione;trifluoromethane is sourced from PubChem (CID 157099181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).