lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate

C4F3LiN2O3 — CID 122164286

IUPAClithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(C(F)(F)F)o1.[Li+]
InChIInChI=1S/C4HF3N2O3.Li/c5-4(6,7)3-9-8-1(12-3)2(10)11;/h(H,10,11);/q;+1/p-1
InChIKeyWELTYAVCYKRLHV-UHFFFAOYSA-M
MW187.99 g/mol
LogP-3.54
Rot. Bonds1

About lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate

lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 122164286) has the molecular formula C4F3LiN2O3 and a molecular weight of 187.99 g/mol. Its IUPAC name is lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID122164286
Molecular FormulaC4F3LiN2O3
Molecular Weight187.99 g/mol
Exact Mass188.00
IUPAC Namelithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(C(F)(F)F)o1.[Li+]
InChIInChI=1S/C4HF3N2O3.Li/c5-4(6,7)3-9-8-1(12-3)2(10)11;/h(H,10,11);/q;+1/p-1
InChIKeyWELTYAVCYKRLHV-UHFFFAOYSA-M
XLogP-3.54
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.99
LogP ≤ 5-3.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate
CID 24179336
Methyl 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate
CID 101083095
5-(Trifluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 53418321
5-(Difluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619614
5-(1,1,2,2,2-Pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 104632693
Methyl 5-(difluoromethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619091
5-(Difluoromethyl)-1,3,4-oxadiazole-2-carboxylate
CID 153976333
1,3,4-Oxadiazole-2,5-dicarboxylate
CID 140764253
Lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate
CID 169308353

Frequently Asked Questions

What is the IUPAC name of lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate (CID 122164286) is lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate is O=C([O-])c1nnc(C(F)(F)F)o1.[Li+].
What is the InChIKey of lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is WELTYAVCYKRLHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4HF3N2O3.Li/c5-4(6,7)3-9-8-1(12-3)2(10)11;/h(H,10,11);/q;+1/p-1.
What are the key properties of lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate?
lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 187.99 g/mol, XLogP of -3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 122164286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).