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

C10H13F3N2O3 — CID 62934457

IUPAC3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)(CC(=O)O)Cc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H13F3N2O3/c1-9(2,5-8(16)17)3-6-14-15-7(18-6)4-10(11,12)13/h3-5H2,1-2H3,(H,16,17)
InChIKeyUWPLRIBXPHZNNB-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.22
Rot. Bonds5

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

3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 62934457) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID62934457
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)(CC(=O)O)Cc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H13F3N2O3/c1-9(2,5-8(16)17)3-6-14-15-7(18-6)4-10(11,12)13/h3-5H2,1-2H3,(H,16,17)
InChIKeyUWPLRIBXPHZNNB-UHFFFAOYSA-N
XLogP2.22
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 62934457) is 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid is CC(C)(CC(=O)O)Cc1nnc(CC(F)(F)F)o1.
What is the InChIKey of 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is UWPLRIBXPHZNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-9(2,5-8(16)17)3-6-14-15-7(18-6)4-10(11,12)13/h3-5H2,1-2H3,(H,16,17).
What are the key properties of 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 266.22 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 62934457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).