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

C8H9F3N2O4 — CID 79953712

IUPAC2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H9F3N2O4/c9-8(10,11)2-1-5-12-6(17-13-5)3-16-4-7(14)15/h1-4H2,(H,14,15)
InChIKeySDNVNIFMHIZTQC-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.17
Rot. Bonds6

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

2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 79953712) has the molecular formula C8H9F3N2O4 and a molecular weight of 254.16 g/mol. Its IUPAC name is 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID79953712
Molecular FormulaC8H9F3N2O4
Molecular Weight254.16 g/mol
Exact Mass254.05
IUPAC Name2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H9F3N2O4/c9-8(10,11)2-1-5-12-6(17-13-5)3-16-4-7(14)15/h1-4H2,(H,14,15)
InChIKeySDNVNIFMHIZTQC-UHFFFAOYSA-N
XLogP1.17
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 79953712) is 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is O=C(O)COCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is SDNVNIFMHIZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O4/c9-8(10,11)2-1-5-12-6(17-13-5)3-16-4-7(14)15/h1-4H2,(H,14,15).
What are the key properties of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 254.16 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 79953712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).