2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid

C11H15F3N2O3 — CID 61392824

IUPAC2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCC(C)C(C)(Cc1nc(CC(F)(F)F)no1)C(=O)O
InChIInChI=1S/C11H15F3N2O3/c1-6(2)10(3,9(17)18)5-8-15-7(16-19-8)4-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyFNQRJTKFIGLKQJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.46
Rot. Bonds5

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

2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (PubChem CID 61392824) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
PubChem CID61392824
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCC(C)C(C)(Cc1nc(CC(F)(F)F)no1)C(=O)O
InChIInChI=1S/C11H15F3N2O3/c1-6(2)10(3,9(17)18)5-8-15-7(16-19-8)4-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyFNQRJTKFIGLKQJ-UHFFFAOYSA-N
XLogP2.46
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The IUPAC name of 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (CID 61392824) is 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is CC(C)C(C)(Cc1nc(CC(F)(F)F)no1)C(=O)O.
What is the InChIKey of 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The InChIKey is FNQRJTKFIGLKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-6(2)10(3,9(17)18)5-8-15-7(16-19-8)4-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid has a molecular weight of 280.25 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is sourced from PubChem (CID 61392824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).