lithium fluorobenzene

C6H4FLi — CID 10953436

IUPAClithium fluorobenzene
SMILESFc1[c-]cccc1.[Li+]
InChIInChI=1S/C6H4F.Li/c7-6-4-2-1-3-5-6;/h1-4H;/q-1;+1
InChIKeyFFZYFXSVOADDPG-UHFFFAOYSA-N
MW102.04 g/mol
LogP-1.37
Rot. Bonds

About lithium fluorobenzene

lithium fluorobenzene (PubChem CID 10953436) has the molecular formula C6H4FLi and a molecular weight of 102.04 g/mol. Its IUPAC name is lithium fluorobenzene.

Molecular Properties

Compound Namelithium fluorobenzene
PubChem CID10953436
Molecular FormulaC6H4FLi
Molecular Weight102.04 g/mol
Exact Mass102.05
IUPAC Namelithium fluorobenzene
SMILESFc1[c-]cccc1.[Li+]
InChIInChI=1S/C6H4F.Li/c7-6-4-2-1-3-5-6;/h1-4H;/q-1;+1
InChIKeyFFZYFXSVOADDPG-UHFFFAOYSA-N
XLogP-1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.04
LogP ≤ 5-1.37
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 fluorobenzene?
The IUPAC name of lithium fluorobenzene (CID 10953436) is lithium fluorobenzene.
What is the SMILES notation for lithium fluorobenzene?
The canonical SMILES for lithium fluorobenzene is Fc1[c-]cccc1.[Li+].
What is the InChIKey of lithium fluorobenzene?
The InChIKey is FFZYFXSVOADDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F.Li/c7-6-4-2-1-3-5-6;/h1-4H;/q-1;+1.
What are the key properties of lithium fluorobenzene?
lithium fluorobenzene has a molecular weight of 102.04 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium fluorobenzene is sourced from PubChem (CID 10953436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).