lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate

C11H7F3LiNO2 — CID 68638559

IUPAClithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate
SMILESO=C([O-])Cc1cc2cccc(C(F)(F)F)c2[nH]1.[Li+]
InChIInChI=1S/C11H8F3NO2.Li/c12-11(13,14)8-3-1-2-6-4-7(5-9(16)17)15-10(6)8;/h1-4,15H,5H2,(H,16,17);/q;+1/p-1
InChIKeyFHVAYWRXCQAADX-UHFFFAOYSA-M
MW249.12 g/mol
LogP-1.52
Rot. Bonds2

About lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate

lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate (PubChem CID 68638559) has the molecular formula C11H7F3LiNO2 and a molecular weight of 249.12 g/mol. Its IUPAC name is lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate.

Molecular Properties

Compound Namelithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate
PubChem CID68638559
Molecular FormulaC11H7F3LiNO2
Molecular Weight249.12 g/mol
Exact Mass249.06
IUPAC Namelithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate
SMILESO=C([O-])Cc1cc2cccc(C(F)(F)F)c2[nH]1.[Li+]
InChIInChI=1S/C11H8F3NO2.Li/c12-11(13,14)8-3-1-2-6-4-7(5-9(16)17)15-10(6)8;/h1-4,15H,5H2,(H,16,17);/q;+1/p-1
InChIKeyFHVAYWRXCQAADX-UHFFFAOYSA-M
XLogP-1.52
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate?
The IUPAC name of lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate (CID 68638559) is lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate.
What is the SMILES notation for lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate?
The canonical SMILES for lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate is O=C([O-])Cc1cc2cccc(C(F)(F)F)c2[nH]1.[Li+].
What is the InChIKey of lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate?
The InChIKey is FHVAYWRXCQAADX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8F3NO2.Li/c12-11(13,14)8-3-1-2-6-4-7(5-9(16)17)15-10(6)8;/h1-4,15H,5H2,(H,16,17);/q;+1/p-1.
What are the key properties of lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate?
lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate has a molecular weight of 249.12 g/mol, XLogP of -1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[7-(trifluoromethyl)-1H-indol-2-yl]acetate is sourced from PubChem (CID 68638559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).