sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate

C4HF3NNaO2 — CID 23670237

IUPACsodium 3-(trifluoromethyl)-1,2-oxazol-5-olate
SMILES[Na+].[O-]c1cc(C(F)(F)F)no1
InChIInChI=1S/C4H2F3NO2.Na/c5-4(6,7)2-1-3(9)10-8-2;/h1,9H;/q;+1/p-1
InChIKeyJFVMMNGOEMWKRS-UHFFFAOYSA-M
MW175.04 g/mol
LogP-2.23
Rot. Bonds

About sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate

sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate (PubChem CID 23670237) has the molecular formula C4HF3NNaO2 and a molecular weight of 175.04 g/mol. Its IUPAC name is sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate.

Molecular Properties

Compound Namesodium 3-(trifluoromethyl)-1,2-oxazol-5-olate
PubChem CID23670237
Molecular FormulaC4HF3NNaO2
Molecular Weight175.04 g/mol
Exact Mass174.99
IUPAC Namesodium 3-(trifluoromethyl)-1,2-oxazol-5-olate
SMILES[Na+].[O-]c1cc(C(F)(F)F)no1
InChIInChI=1S/C4H2F3NO2.Na/c5-4(6,7)2-1-3(9)10-8-2;/h1,9H;/q;+1/p-1
InChIKeyJFVMMNGOEMWKRS-UHFFFAOYSA-M
XLogP-2.23
TPSA49.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.04
LogP ≤ 5-2.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate?
The IUPAC name of sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate (CID 23670237) is sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate.
What is the SMILES notation for sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate?
The canonical SMILES for sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate is [Na+].[O-]c1cc(C(F)(F)F)no1.
What is the InChIKey of sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate?
The InChIKey is JFVMMNGOEMWKRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2F3NO2.Na/c5-4(6,7)2-1-3(9)10-8-2;/h1,9H;/q;+1/p-1.
What are the key properties of sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate?
sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate has a molecular weight of 175.04 g/mol, XLogP of -2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(trifluoromethyl)-1,2-oxazol-5-olate is sourced from PubChem (CID 23670237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).