lithium 2-fluorobenzoate

C7H4FLiO2 — CID 19205780

IUPAClithium 2-fluorobenzoate
SMILESO=C([O-])c1ccccc1F.[Li+]
InChIInChI=1S/C7H5FO2.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKeyGMNYABASKJXTFJ-UHFFFAOYSA-M
MW146.05 g/mol
LogP-2.81
Rot. Bonds1

About lithium 2-fluorobenzoate

lithium 2-fluorobenzoate (PubChem CID 19205780) has the molecular formula C7H4FLiO2 and a molecular weight of 146.05 g/mol. Its IUPAC name is lithium 2-fluorobenzoate.

Molecular Properties

Compound Namelithium 2-fluorobenzoate
PubChem CID19205780
Molecular FormulaC7H4FLiO2
Molecular Weight146.05 g/mol
Exact Mass146.04
IUPAC Namelithium 2-fluorobenzoate
SMILESO=C([O-])c1ccccc1F.[Li+]
InChIInChI=1S/C7H5FO2.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKeyGMNYABASKJXTFJ-UHFFFAOYSA-M
XLogP-2.81
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.05
LogP ≤ 5-2.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
CID 139036983
2-fluorobenzoate;triphenylsulfanium
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pentakis(lead(2+));phthalate
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trimagnesium;phthalate
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nickel(2+);phthalate
CID 15798393
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
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bis(lead(2+));phthalate;dihydroxide
CID 102446618
disodium;hydron;phthalate
CID 23089010
lithium 2-carboxybenzoate
CID 67386197
2-fluorobenzoyl chloride
CID 9808

Frequently Asked Questions

What is the IUPAC name of lithium 2-fluorobenzoate?
The IUPAC name of lithium 2-fluorobenzoate (CID 19205780) is lithium 2-fluorobenzoate.
What is the SMILES notation for lithium 2-fluorobenzoate?
The canonical SMILES for lithium 2-fluorobenzoate is O=C([O-])c1ccccc1F.[Li+].
What is the InChIKey of lithium 2-fluorobenzoate?
The InChIKey is GMNYABASKJXTFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5FO2.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2-fluorobenzoate?
lithium 2-fluorobenzoate has a molecular weight of 146.05 g/mol, XLogP of -2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-fluorobenzoate is sourced from PubChem (CID 19205780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).