2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid

C11H5F4NO3 — CID 115050945

IUPAC2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid
SMILESO=C(O)c1cc(-c2coc(C(F)(F)F)n2)ccc1F
InChIInChI=1S/C11H5F4NO3/c12-7-2-1-5(3-6(7)9(17)18)8-4-19-10(16-8)11(13,14)15/h1-4H,(H,17,18)
InChIKeyMHKAPEYOTOVBGH-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.20
Rot. Bonds2

About 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid

2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid (PubChem CID 115050945) has the molecular formula C11H5F4NO3 and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid
PubChem CID115050945
Molecular FormulaC11H5F4NO3
Molecular Weight275.16 g/mol
Exact Mass275.02
IUPAC Name2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid
SMILESO=C(O)c1cc(-c2coc(C(F)(F)F)n2)ccc1F
InChIInChI=1S/C11H5F4NO3/c12-7-2-1-5(3-6(7)9(17)18)8-4-19-10(16-8)11(13,14)15/h1-4H,(H,17,18)
InChIKeyMHKAPEYOTOVBGH-UHFFFAOYSA-N
XLogP3.20
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid?
The IUPAC name of 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid (CID 115050945) is 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid is O=C(O)c1cc(-c2coc(C(F)(F)F)n2)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid?
The InChIKey is MHKAPEYOTOVBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4NO3/c12-7-2-1-5(3-6(7)9(17)18)8-4-19-10(16-8)11(13,14)15/h1-4H,(H,17,18).
What are the key properties of 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid?
2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid has a molecular weight of 275.16 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid is sourced from PubChem (CID 115050945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).