lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide

C8H6F3Li — CID 87932261

IUPAClithium 1-methyl-2-(trifluoromethyl)benzene-4-ide
SMILESCc1cc[c-]cc1C(F)(F)F.[Li+]
InChIInChI=1S/C8H6F3.Li/c1-6-4-2-3-5-7(6)8(9,10)11;/h2,4-5H,1H3;/q-1;+1
InChIKeyORGHSTDZIXHKGO-UHFFFAOYSA-N
MW166.07 g/mol
LogP-0.18
Rot. Bonds

About lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide

lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide (PubChem CID 87932261) has the molecular formula C8H6F3Li and a molecular weight of 166.07 g/mol. Its IUPAC name is lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide.

Molecular Properties

Compound Namelithium 1-methyl-2-(trifluoromethyl)benzene-4-ide
PubChem CID87932261
Molecular FormulaC8H6F3Li
Molecular Weight166.07 g/mol
Exact Mass166.06
IUPAC Namelithium 1-methyl-2-(trifluoromethyl)benzene-4-ide
SMILESCc1cc[c-]cc1C(F)(F)F.[Li+]
InChIInChI=1S/C8H6F3.Li/c1-6-4-2-3-5-7(6)8(9,10)11;/h2,4-5H,1H3;/q-1;+1
InChIKeyORGHSTDZIXHKGO-UHFFFAOYSA-N
XLogP-0.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide?
The IUPAC name of lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide (CID 87932261) is lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide.
What is the SMILES notation for lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide?
The canonical SMILES for lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide is Cc1cc[c-]cc1C(F)(F)F.[Li+].
What is the InChIKey of lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide?
The InChIKey is ORGHSTDZIXHKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3.Li/c1-6-4-2-3-5-7(6)8(9,10)11;/h2,4-5H,1H3;/q-1;+1.
What are the key properties of lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide?
lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide has a molecular weight of 166.07 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide is sourced from PubChem (CID 87932261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).