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

C8H9F3N2O3 — CID 79952977

IUPAC3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)4-3-5-12-6(16-13-5)1-2-7(14)15/h1-4H2,(H,14,15)
InChIKeyFSAOWOMIXLWFQY-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.58
Rot. Bonds5

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

3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 79952977) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID79952977
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)4-3-5-12-6(16-13-5)1-2-7(14)15/h1-4H2,(H,14,15)
InChIKeyFSAOWOMIXLWFQY-UHFFFAOYSA-N
XLogP1.58
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 79952977) is 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid is O=C(O)CCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is FSAOWOMIXLWFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)4-3-5-12-6(16-13-5)1-2-7(14)15/h1-4H2,(H,14,15).
What are the key properties of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 238.16 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 79952977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).