lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide

C7H3ClF3Li — CID 162537389

IUPAClithium 1-chloro-3-(trifluoromethyl)benzene-4-ide
SMILESFC(F)(F)c1[c-]ccc(Cl)c1.[Li+]
InChIInChI=1S/C7H3ClF3.Li/c8-6-3-1-2-5(4-6)7(9,10)11;/h1,3-4H;/q-1;+1
InChIKeyDPXXQHZAJMXUJL-UHFFFAOYSA-N
MW186.49 g/mol
LogP0.16
Rot. Bonds

About lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide

lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide (PubChem CID 162537389) has the molecular formula C7H3ClF3Li and a molecular weight of 186.49 g/mol. Its IUPAC name is lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide.

Molecular Properties

Compound Namelithium 1-chloro-3-(trifluoromethyl)benzene-4-ide
PubChem CID162537389
Molecular FormulaC7H3ClF3Li
Molecular Weight186.49 g/mol
Exact Mass186.00
IUPAC Namelithium 1-chloro-3-(trifluoromethyl)benzene-4-ide
SMILESFC(F)(F)c1[c-]ccc(Cl)c1.[Li+]
InChIInChI=1S/C7H3ClF3.Li/c8-6-3-1-2-5(4-6)7(9,10)11;/h1,3-4H;/q-1;+1
InChIKeyDPXXQHZAJMXUJL-UHFFFAOYSA-N
XLogP0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.49
LogP ≤ 50.16
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-chloro-3-(trifluoromethyl)benzene-4-ide?
The IUPAC name of lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide (CID 162537389) is lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide.
What is the SMILES notation for lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide?
The canonical SMILES for lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide is FC(F)(F)c1[c-]ccc(Cl)c1.[Li+].
What is the InChIKey of lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide?
The InChIKey is DPXXQHZAJMXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3.Li/c8-6-3-1-2-5(4-6)7(9,10)11;/h1,3-4H;/q-1;+1.
What are the key properties of lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide?
lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide has a molecular weight of 186.49 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-chloro-3-(trifluoromethyl)benzene-4-ide is sourced from PubChem (CID 162537389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).