1,3-oxazole;2,2,2-trifluoroacetic acid

C5H4F3NO3 — CID 118574962

IUPAC1,3-oxazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cocn1
InChIInChI=1S/C3H3NO.C2HF3O2/c1-2-5-3-4-1;3-2(4,5)1(6)7/h1-3H;(H,6,7)
InChIKeyUNJQLXHFWCLXBQ-UHFFFAOYSA-N
MW183.09 g/mol
LogP1.31
Rot. Bonds

About 1,3-oxazole;2,2,2-trifluoroacetic acid

1,3-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 118574962) has the molecular formula C5H4F3NO3 and a molecular weight of 183.09 g/mol. Its IUPAC name is 1,3-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-oxazole;2,2,2-trifluoroacetic acid
PubChem CID118574962
Molecular FormulaC5H4F3NO3
Molecular Weight183.09 g/mol
Exact Mass183.01
IUPAC Name1,3-oxazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cocn1
InChIInChI=1S/C3H3NO.C2HF3O2/c1-2-5-3-4-1;3-2(4,5)1(6)7/h1-3H;(H,6,7)
InChIKeyUNJQLXHFWCLXBQ-UHFFFAOYSA-N
XLogP1.31
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.09
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-oxazole;2,2,2-trifluoroacetic acid (CID 118574962) is 1,3-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-oxazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cocn1.
What is the InChIKey of 1,3-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is UNJQLXHFWCLXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.C2HF3O2/c1-2-5-3-4-1;3-2(4,5)1(6)7/h1-3H;(H,6,7).
What are the key properties of 1,3-oxazole;2,2,2-trifluoroacetic acid?
1,3-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 183.09 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118574962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).