lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide

C8H8FLiO2 — CID 23706805

IUPAClithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide
SMILESCOCOc1c[c-]cc(F)c1.[Li+]
InChIInChI=1S/C8H8FO2.Li/c1-10-6-11-8-4-2-3-7(9)5-8;/h3-5H,6H2,1H3;/q-1;+1
InChIKeyPQDNBWQNGJITBN-UHFFFAOYSA-N
MW162.09 g/mol
LogP-1.39
Rot. Bonds3

About lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide

lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide (PubChem CID 23706805) has the molecular formula C8H8FLiO2 and a molecular weight of 162.09 g/mol. Its IUPAC name is lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide.

Molecular Properties

Compound Namelithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide
PubChem CID23706805
Molecular FormulaC8H8FLiO2
Molecular Weight162.09 g/mol
Exact Mass162.07
IUPAC Namelithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide
SMILESCOCOc1c[c-]cc(F)c1.[Li+]
InChIInChI=1S/C8H8FO2.Li/c1-10-6-11-8-4-2-3-7(9)5-8;/h3-5H,6H2,1H3;/q-1;+1
InChIKeyPQDNBWQNGJITBN-UHFFFAOYSA-N
XLogP-1.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide?
The IUPAC name of lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide (CID 23706805) is lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide.
What is the SMILES notation for lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide?
The canonical SMILES for lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide is COCOc1c[c-]cc(F)c1.[Li+].
What is the InChIKey of lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide?
The InChIKey is PQDNBWQNGJITBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FO2.Li/c1-10-6-11-8-4-2-3-7(9)5-8;/h3-5H,6H2,1H3;/q-1;+1.
What are the key properties of lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide?
lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide has a molecular weight of 162.09 g/mol, XLogP of -1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide is sourced from PubChem (CID 23706805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).