2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole

C10H13F3N2O2 — CID 145111340

IUPAC2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(OCC(F)(F)F)c1nnc(C2CCC2)o1
InChIInChI=1S/C10H13F3N2O2/c1-6(16-5-10(11,12)13)8-14-15-9(17-8)7-3-2-4-7/h6-7H,2-5H2,1H3
InChIKeyAKLSXULHPHOBPB-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.98
Rot. Bonds4

About 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole

2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole (PubChem CID 145111340) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
PubChem CID145111340
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(OCC(F)(F)F)c1nnc(C2CCC2)o1
InChIInChI=1S/C10H13F3N2O2/c1-6(16-5-10(11,12)13)8-14-15-9(17-8)7-3-2-4-7/h6-7H,2-5H2,1H3
InChIKeyAKLSXULHPHOBPB-UHFFFAOYSA-N
XLogP2.98
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole (CID 145111340) is 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole is CC(OCC(F)(F)F)c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole?
The InChIKey is AKLSXULHPHOBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-6(16-5-10(11,12)13)8-14-15-9(17-8)7-3-2-4-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole has a molecular weight of 250.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 145111340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).