lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide

C7H3BrF3Li — CID 134969810

IUPAClithium 1-bromo-3-(trifluoromethyl)benzene-2-ide
SMILESFC(F)(F)c1[c-]c(Br)ccc1.[Li+]
InChIInChI=1S/C7H3BrF3.Li/c8-6-3-1-2-5(4-6)7(9,10)11;/h1-3H;/q-1;+1
InChIKeyIVLJDDSZWXVMKG-UHFFFAOYSA-N
MW230.94 g/mol
LogP0.27
Rot. Bonds

About lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide

lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide (PubChem CID 134969810) has the molecular formula C7H3BrF3Li and a molecular weight of 230.94 g/mol. Its IUPAC name is lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide.

Molecular Properties

Compound Namelithium 1-bromo-3-(trifluoromethyl)benzene-2-ide
PubChem CID134969810
Molecular FormulaC7H3BrF3Li
Molecular Weight230.94 g/mol
Exact Mass229.95
IUPAC Namelithium 1-bromo-3-(trifluoromethyl)benzene-2-ide
SMILESFC(F)(F)c1[c-]c(Br)ccc1.[Li+]
InChIInChI=1S/C7H3BrF3.Li/c8-6-3-1-2-5(4-6)7(9,10)11;/h1-3H;/q-1;+1
InChIKeyIVLJDDSZWXVMKG-UHFFFAOYSA-N
XLogP0.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.94
LogP ≤ 50.27
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-bromo-3-(trifluoromethyl)benzene-2-ide?
The IUPAC name of lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide (CID 134969810) is lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide.
What is the SMILES notation for lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide?
The canonical SMILES for lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide is FC(F)(F)c1[c-]c(Br)ccc1.[Li+].
What is the InChIKey of lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide?
The InChIKey is IVLJDDSZWXVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3.Li/c8-6-3-1-2-5(4-6)7(9,10)11;/h1-3H;/q-1;+1.
What are the key properties of lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide?
lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide has a molecular weight of 230.94 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-bromo-3-(trifluoromethyl)benzene-2-ide is sourced from PubChem (CID 134969810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).