lithium 1-fluoro-2-methoxybenzene-3-ide

C7H6FLiO — CID 58978741

IUPAClithium 1-fluoro-2-methoxybenzene-3-ide
SMILESCOc1[c-]cccc1F.[Li+]
InChIInChI=1S/C7H6FO.Li/c1-9-7-5-3-2-4-6(7)8;/h2-4H,1H3;/q-1;+1
InChIKeyBFLRUBPNUNEFQX-UHFFFAOYSA-N
MW132.06 g/mol
LogP-1.36
Rot. Bonds1

About lithium 1-fluoro-2-methoxybenzene-3-ide

lithium 1-fluoro-2-methoxybenzene-3-ide (PubChem CID 58978741) has the molecular formula C7H6FLiO and a molecular weight of 132.06 g/mol. Its IUPAC name is lithium 1-fluoro-2-methoxybenzene-3-ide.

Molecular Properties

Compound Namelithium 1-fluoro-2-methoxybenzene-3-ide
PubChem CID58978741
Molecular FormulaC7H6FLiO
Molecular Weight132.06 g/mol
Exact Mass132.06
IUPAC Namelithium 1-fluoro-2-methoxybenzene-3-ide
SMILESCOc1[c-]cccc1F.[Li+]
InChIInChI=1S/C7H6FO.Li/c1-9-7-5-3-2-4-6(7)8;/h2-4H,1H3;/q-1;+1
InChIKeyBFLRUBPNUNEFQX-UHFFFAOYSA-N
XLogP-1.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.06
LogP ≤ 5-1.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-fluoro-2-methoxybenzene-3-ide?
The IUPAC name of lithium 1-fluoro-2-methoxybenzene-3-ide (CID 58978741) is lithium 1-fluoro-2-methoxybenzene-3-ide.
What is the SMILES notation for lithium 1-fluoro-2-methoxybenzene-3-ide?
The canonical SMILES for lithium 1-fluoro-2-methoxybenzene-3-ide is COc1[c-]cccc1F.[Li+].
What is the InChIKey of lithium 1-fluoro-2-methoxybenzene-3-ide?
The InChIKey is BFLRUBPNUNEFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FO.Li/c1-9-7-5-3-2-4-6(7)8;/h2-4H,1H3;/q-1;+1.
What are the key properties of lithium 1-fluoro-2-methoxybenzene-3-ide?
lithium 1-fluoro-2-methoxybenzene-3-ide has a molecular weight of 132.06 g/mol, XLogP of -1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-fluoro-2-methoxybenzene-3-ide is sourced from PubChem (CID 58978741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).