lithium 2,9-dihydrofluoren-2-ide

C13H9Li — CID 71361790

IUPAClithium 2,9-dihydrofluoren-2-ide
SMILES[Li+].[c-]1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H9.Li/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h1,3-8H,9H2;/q-1;+1
InChIKeyPRTDWNMXBLCLQZ-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.06
Rot. Bonds

About lithium 2,9-dihydrofluoren-2-ide

lithium 2,9-dihydrofluoren-2-ide (PubChem CID 71361790) has the molecular formula C13H9Li and a molecular weight of 172.16 g/mol. Its IUPAC name is lithium 2,9-dihydrofluoren-2-ide.

Molecular Properties

Compound Namelithium 2,9-dihydrofluoren-2-ide
PubChem CID71361790
Molecular FormulaC13H9Li
Molecular Weight172.16 g/mol
Exact Mass172.09
IUPAC Namelithium 2,9-dihydrofluoren-2-ide
SMILES[Li+].[c-]1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H9.Li/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h1,3-8H,9H2;/q-1;+1
InChIKeyPRTDWNMXBLCLQZ-UHFFFAOYSA-N
XLogP0.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.06
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 2,9-dihydrofluoren-2-ide?
The IUPAC name of lithium 2,9-dihydrofluoren-2-ide (CID 71361790) is lithium 2,9-dihydrofluoren-2-ide.
What is the SMILES notation for lithium 2,9-dihydrofluoren-2-ide?
The canonical SMILES for lithium 2,9-dihydrofluoren-2-ide is [Li+].[c-]1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of lithium 2,9-dihydrofluoren-2-ide?
The InChIKey is PRTDWNMXBLCLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.Li/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h1,3-8H,9H2;/q-1;+1.
What are the key properties of lithium 2,9-dihydrofluoren-2-ide?
lithium 2,9-dihydrofluoren-2-ide has a molecular weight of 172.16 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,9-dihydrofluoren-2-ide is sourced from PubChem (CID 71361790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).