oxadiazole;2,2,2-trifluoroacetic acid

C4H3F3N2O3 — CID 69104520

IUPACoxadiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1conn1
InChIInChI=1S/C2HF3O2.C2H2N2O/c3-2(4,5)1(6)7;1-2-5-4-3-1/h(H,6,7);1-2H
InChIKeyAZYKCHZUCZGOEA-UHFFFAOYSA-N
MW184.07 g/mol
LogP0.70
Rot. Bonds

About oxadiazole;2,2,2-trifluoroacetic acid

oxadiazole;2,2,2-trifluoroacetic acid (PubChem CID 69104520) has the molecular formula C4H3F3N2O3 and a molecular weight of 184.07 g/mol. Its IUPAC name is oxadiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameoxadiazole;2,2,2-trifluoroacetic acid
PubChem CID69104520
Molecular FormulaC4H3F3N2O3
Molecular Weight184.07 g/mol
Exact Mass184.01
IUPAC Nameoxadiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1conn1
InChIInChI=1S/C2HF3O2.C2H2N2O/c3-2(4,5)1(6)7;1-2-5-4-3-1/h(H,6,7);1-2H
InChIKeyAZYKCHZUCZGOEA-UHFFFAOYSA-N
XLogP0.70
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of oxadiazole;2,2,2-trifluoroacetic acid (CID 69104520) is oxadiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for oxadiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for oxadiazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1conn1.
What is the InChIKey of oxadiazole;2,2,2-trifluoroacetic acid?
The InChIKey is AZYKCHZUCZGOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H2N2O/c3-2(4,5)1(6)7;1-2-5-4-3-1/h(H,6,7);1-2H.
What are the key properties of oxadiazole;2,2,2-trifluoroacetic acid?
oxadiazole;2,2,2-trifluoroacetic acid has a molecular weight of 184.07 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69104520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).