lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide

C9H2F9Li — CID 11066102

IUPAClithium 1,3,5-tris(trifluoromethyl)benzene-6-ide
SMILESFC(F)(F)c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.[Li+]
InChIInChI=1S/C9H2F9.Li/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;/h1-2H;/q-1;+1
InChIKeyUTGSVFDOMFSZDH-UHFFFAOYSA-N
MW288.04 g/mol
LogP1.55
Rot. Bonds

About lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide

lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide (PubChem CID 11066102) has the molecular formula C9H2F9Li and a molecular weight of 288.04 g/mol. Its IUPAC name is lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide.

Molecular Properties

Compound Namelithium 1,3,5-tris(trifluoromethyl)benzene-6-ide
PubChem CID11066102
Molecular FormulaC9H2F9Li
Molecular Weight288.04 g/mol
Exact Mass288.02
IUPAC Namelithium 1,3,5-tris(trifluoromethyl)benzene-6-ide
SMILESFC(F)(F)c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.[Li+]
InChIInChI=1S/C9H2F9.Li/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;/h1-2H;/q-1;+1
InChIKeyUTGSVFDOMFSZDH-UHFFFAOYSA-N
XLogP1.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 51.55
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 1,3,5-tris(trifluoromethyl)benzene-6-ide?
The IUPAC name of lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide (CID 11066102) is lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide.
What is the SMILES notation for lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide?
The canonical SMILES for lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide is FC(F)(F)c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.[Li+].
What is the InChIKey of lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide?
The InChIKey is UTGSVFDOMFSZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F9.Li/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;/h1-2H;/q-1;+1.
What are the key properties of lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide?
lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide has a molecular weight of 288.04 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,3,5-tris(trifluoromethyl)benzene-6-ide is sourced from PubChem (CID 11066102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).