lithium 2-(4-fluorophenyl)ethanolate

C8H8FLiO — CID 101196561

IUPAClithium 2-(4-fluorophenyl)ethanolate
SMILES[Li+].[O-]CCc1ccc(F)cc1
InChIInChI=1S/C8H8FO.Li/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6H2;/q-1;+1
InChIKeyZEWSTJRYQYRGLW-UHFFFAOYSA-N
MW146.09 g/mol
LogP-2.27
Rot. Bonds2

About lithium 2-(4-fluorophenyl)ethanolate

lithium 2-(4-fluorophenyl)ethanolate (PubChem CID 101196561) has the molecular formula C8H8FLiO and a molecular weight of 146.09 g/mol. Its IUPAC name is lithium 2-(4-fluorophenyl)ethanolate.

Molecular Properties

Compound Namelithium 2-(4-fluorophenyl)ethanolate
PubChem CID101196561
Molecular FormulaC8H8FLiO
Molecular Weight146.09 g/mol
Exact Mass146.07
IUPAC Namelithium 2-(4-fluorophenyl)ethanolate
SMILES[Li+].[O-]CCc1ccc(F)cc1
InChIInChI=1S/C8H8FO.Li/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6H2;/q-1;+1
InChIKeyZEWSTJRYQYRGLW-UHFFFAOYSA-N
XLogP-2.27
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.09
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(4-fluorophenyl)ethanolate?
The IUPAC name of lithium 2-(4-fluorophenyl)ethanolate (CID 101196561) is lithium 2-(4-fluorophenyl)ethanolate.
What is the SMILES notation for lithium 2-(4-fluorophenyl)ethanolate?
The canonical SMILES for lithium 2-(4-fluorophenyl)ethanolate is [Li+].[O-]CCc1ccc(F)cc1.
What is the InChIKey of lithium 2-(4-fluorophenyl)ethanolate?
The InChIKey is ZEWSTJRYQYRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FO.Li/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6H2;/q-1;+1.
What are the key properties of lithium 2-(4-fluorophenyl)ethanolate?
lithium 2-(4-fluorophenyl)ethanolate has a molecular weight of 146.09 g/mol, XLogP of -2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(4-fluorophenyl)ethanolate is sourced from PubChem (CID 101196561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).