sodium fluorobenzene

C6H4FNa — CID 86652199

IUPACsodium fluorobenzene
SMILESFc1cc[c-]cc1.[Na+]
InChIInChI=1S/C6H4F.Na/c7-6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyJYZZTSMKFWMOAF-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.37
Rot. Bonds

About sodium fluorobenzene

sodium fluorobenzene (PubChem CID 86652199) has the molecular formula C6H4FNa and a molecular weight of 118.09 g/mol. Its IUPAC name is sodium fluorobenzene.

Molecular Properties

Compound Namesodium fluorobenzene
PubChem CID86652199
Molecular FormulaC6H4FNa
Molecular Weight118.09 g/mol
Exact Mass118.02
IUPAC Namesodium fluorobenzene
SMILESFc1cc[c-]cc1.[Na+]
InChIInChI=1S/C6H4F.Na/c7-6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyJYZZTSMKFWMOAF-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 ≤ 500118.09
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 sodium fluorobenzene?
The IUPAC name of sodium fluorobenzene (CID 86652199) is sodium fluorobenzene.
What is the SMILES notation for sodium fluorobenzene?
The canonical SMILES for sodium fluorobenzene is Fc1cc[c-]cc1.[Na+].
What is the InChIKey of sodium fluorobenzene?
The InChIKey is JYZZTSMKFWMOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F.Na/c7-6-4-2-1-3-5-6;/h2-5H;/q-1;+1.
What are the key properties of sodium fluorobenzene?
sodium fluorobenzene has a molecular weight of 118.09 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 sodium fluorobenzene is sourced from PubChem (CID 86652199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).