lithium 7-(trifluoromethyl)-4H-quinolin-4-ide

C10H5F3LiN — CID 88830014

IUPAClithium 7-(trifluoromethyl)-4H-quinolin-4-ide
SMILESFC(F)(F)c1ccc2[c-]ccnc2c1.[Li+]
InChIInChI=1S/C10H5F3N.Li/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8;/h1,3-6H;/q-1;+1
InChIKeyLJDDOHRXAXUFFV-UHFFFAOYSA-N
MW203.09 g/mol
LogP0.06
Rot. Bonds

About lithium 7-(trifluoromethyl)-4H-quinolin-4-ide

lithium 7-(trifluoromethyl)-4H-quinolin-4-ide (PubChem CID 88830014) has the molecular formula C10H5F3LiN and a molecular weight of 203.09 g/mol. Its IUPAC name is lithium 7-(trifluoromethyl)-4H-quinolin-4-ide.

Molecular Properties

Compound Namelithium 7-(trifluoromethyl)-4H-quinolin-4-ide
PubChem CID88830014
Molecular FormulaC10H5F3LiN
Molecular Weight203.09 g/mol
Exact Mass203.05
IUPAC Namelithium 7-(trifluoromethyl)-4H-quinolin-4-ide
SMILESFC(F)(F)c1ccc2[c-]ccnc2c1.[Li+]
InChIInChI=1S/C10H5F3N.Li/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8;/h1,3-6H;/q-1;+1
InChIKeyLJDDOHRXAXUFFV-UHFFFAOYSA-N
XLogP0.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.09
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium 7-(trifluoromethyl)-4H-quinolin-4-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 7-(trifluoromethyl)-4H-quinolin-4-ide?
The IUPAC name of lithium 7-(trifluoromethyl)-4H-quinolin-4-ide (CID 88830014) is lithium 7-(trifluoromethyl)-4H-quinolin-4-ide.
What is the SMILES notation for lithium 7-(trifluoromethyl)-4H-quinolin-4-ide?
The canonical SMILES for lithium 7-(trifluoromethyl)-4H-quinolin-4-ide is FC(F)(F)c1ccc2[c-]ccnc2c1.[Li+].
What is the InChIKey of lithium 7-(trifluoromethyl)-4H-quinolin-4-ide?
The InChIKey is LJDDOHRXAXUFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N.Li/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8;/h1,3-6H;/q-1;+1.
What are the key properties of lithium 7-(trifluoromethyl)-4H-quinolin-4-ide?
lithium 7-(trifluoromethyl)-4H-quinolin-4-ide has a molecular weight of 203.09 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-(trifluoromethyl)-4H-quinolin-4-ide is sourced from PubChem (CID 88830014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).