3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid

C7H7F3N2O3 — CID 61392862

IUPAC3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)3-4-11-5(15-12-4)1-2-6(13)14/h1-3H2,(H,13,14)
InChIKeyJHYNWJVRYUAPDX-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.19
Rot. Bonds4

About 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 61392862) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID61392862
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)3-4-11-5(15-12-4)1-2-6(13)14/h1-3H2,(H,13,14)
InChIKeyJHYNWJVRYUAPDX-UHFFFAOYSA-N
XLogP1.19
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 61392862) is 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid is O=C(O)CCc1nc(CC(F)(F)F)no1.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is JHYNWJVRYUAPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)3-4-11-5(15-12-4)1-2-6(13)14/h1-3H2,(H,13,14).
What are the key properties of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 224.14 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 61392862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).