lithium 1,3-difluoro-5-methoxybenzene-2-ide

C7H5F2LiO — CID 87572184

IUPAClithium 1,3-difluoro-5-methoxybenzene-2-ide
SMILESCOc1cc(F)[c-]c(F)c1.[Li+]
InChIInChI=1S/C7H5F2O.Li/c1-10-7-3-5(8)2-6(9)4-7;/h3-4H,1H3;/q-1;+1
InChIKeyWMRGXZPHPBMYLZ-UHFFFAOYSA-N
MW150.05 g/mol
LogP-1.22
Rot. Bonds1

About lithium 1,3-difluoro-5-methoxybenzene-2-ide

lithium 1,3-difluoro-5-methoxybenzene-2-ide (PubChem CID 87572184) has the molecular formula C7H5F2LiO and a molecular weight of 150.05 g/mol. Its IUPAC name is lithium 1,3-difluoro-5-methoxybenzene-2-ide.

Molecular Properties

Compound Namelithium 1,3-difluoro-5-methoxybenzene-2-ide
PubChem CID87572184
Molecular FormulaC7H5F2LiO
Molecular Weight150.05 g/mol
Exact Mass150.05
IUPAC Namelithium 1,3-difluoro-5-methoxybenzene-2-ide
SMILESCOc1cc(F)[c-]c(F)c1.[Li+]
InChIInChI=1S/C7H5F2O.Li/c1-10-7-3-5(8)2-6(9)4-7;/h3-4H,1H3;/q-1;+1
InChIKeyWMRGXZPHPBMYLZ-UHFFFAOYSA-N
XLogP-1.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 5-1.22
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 1,3-difluoro-5-methoxybenzene-2-ide?
The IUPAC name of lithium 1,3-difluoro-5-methoxybenzene-2-ide (CID 87572184) is lithium 1,3-difluoro-5-methoxybenzene-2-ide.
What is the SMILES notation for lithium 1,3-difluoro-5-methoxybenzene-2-ide?
The canonical SMILES for lithium 1,3-difluoro-5-methoxybenzene-2-ide is COc1cc(F)[c-]c(F)c1.[Li+].
What is the InChIKey of lithium 1,3-difluoro-5-methoxybenzene-2-ide?
The InChIKey is WMRGXZPHPBMYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2O.Li/c1-10-7-3-5(8)2-6(9)4-7;/h3-4H,1H3;/q-1;+1.
What are the key properties of lithium 1,3-difluoro-5-methoxybenzene-2-ide?
lithium 1,3-difluoro-5-methoxybenzene-2-ide has a molecular weight of 150.05 g/mol, XLogP of -1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,3-difluoro-5-methoxybenzene-2-ide is sourced from PubChem (CID 87572184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).