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

C7H7F3N2O4 — CID 61392850

IUPAC2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H7F3N2O4/c8-7(9,10)1-4-11-5(16-12-4)2-15-3-6(13)14/h1-3H2,(H,13,14)
InChIKeyDUVXXGXDSZJCIK-UHFFFAOYSA-N
MW240.14 g/mol
LogP0.78
Rot. Bonds5

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

2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 61392850) has the molecular formula C7H7F3N2O4 and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID61392850
Molecular FormulaC7H7F3N2O4
Molecular Weight240.14 g/mol
Exact Mass240.04
IUPAC Name2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H7F3N2O4/c8-7(9,10)1-4-11-5(16-12-4)2-15-3-6(13)14/h1-3H2,(H,13,14)
InChIKeyDUVXXGXDSZJCIK-UHFFFAOYSA-N
XLogP0.78
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 61392850) is 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is O=C(O)COCc1nc(CC(F)(F)F)no1.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is DUVXXGXDSZJCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O4/c8-7(9,10)1-4-11-5(16-12-4)2-15-3-6(13)14/h1-3H2,(H,13,14).
What are the key properties of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 240.14 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 61392850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).