lithium 2,7-dimethyl-9H-fluorene-9-carboxylate

C16H13LiO2 — CID 58078047

IUPAClithium 2,7-dimethyl-9H-fluorene-9-carboxylate
SMILESCc1ccc2c(c1)C(C(=O)[O-])c1cc(C)ccc1-2.[Li+]
InChIInChI=1S/C16H14O2.Li/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16(17)18)13(11)7-9;/h3-8,15H,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyJJYBURSHRIYRHF-UHFFFAOYSA-M
MW244.22 g/mol
LogP-0.83
Rot. Bonds1

About lithium 2,7-dimethyl-9H-fluorene-9-carboxylate

lithium 2,7-dimethyl-9H-fluorene-9-carboxylate (PubChem CID 58078047) has the molecular formula C16H13LiO2 and a molecular weight of 244.22 g/mol. Its IUPAC name is lithium 2,7-dimethyl-9H-fluorene-9-carboxylate.

Molecular Properties

Compound Namelithium 2,7-dimethyl-9H-fluorene-9-carboxylate
PubChem CID58078047
Molecular FormulaC16H13LiO2
Molecular Weight244.22 g/mol
Exact Mass244.11
IUPAC Namelithium 2,7-dimethyl-9H-fluorene-9-carboxylate
SMILESCc1ccc2c(c1)C(C(=O)[O-])c1cc(C)ccc1-2.[Li+]
InChIInChI=1S/C16H14O2.Li/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16(17)18)13(11)7-9;/h3-8,15H,1-2H3,(H,17,18);/q;+1/p-1
InChIKeyJJYBURSHRIYRHF-UHFFFAOYSA-M
XLogP-0.83
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 2,7-dimethyl-9H-fluorene-9-carboxylate?
The IUPAC name of lithium 2,7-dimethyl-9H-fluorene-9-carboxylate (CID 58078047) is lithium 2,7-dimethyl-9H-fluorene-9-carboxylate.
What is the SMILES notation for lithium 2,7-dimethyl-9H-fluorene-9-carboxylate?
The canonical SMILES for lithium 2,7-dimethyl-9H-fluorene-9-carboxylate is Cc1ccc2c(c1)C(C(=O)[O-])c1cc(C)ccc1-2.[Li+].
What is the InChIKey of lithium 2,7-dimethyl-9H-fluorene-9-carboxylate?
The InChIKey is JJYBURSHRIYRHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14O2.Li/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16(17)18)13(11)7-9;/h3-8,15H,1-2H3,(H,17,18);/q;+1/p-1.
What are the key properties of lithium 2,7-dimethyl-9H-fluorene-9-carboxylate?
lithium 2,7-dimethyl-9H-fluorene-9-carboxylate has a molecular weight of 244.22 g/mol, XLogP of -0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,7-dimethyl-9H-fluorene-9-carboxylate is sourced from PubChem (CID 58078047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).