5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole

C9H12F2N2O2 — CID 68641256

IUPAC5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole
SMILESCC(F)(F)OCc1noc(C2CCC2)n1
InChIInChI=1S/C9H12F2N2O2/c1-9(10,11)14-5-7-12-8(15-13-7)6-3-2-4-6/h6H,2-5H2,1H3
InChIKeyNBUPVIKNAINNDK-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.47
Rot. Bonds4

About 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole

5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole (PubChem CID 68641256) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole
PubChem CID68641256
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole
SMILESCC(F)(F)OCc1noc(C2CCC2)n1
InChIInChI=1S/C9H12F2N2O2/c1-9(10,11)14-5-7-12-8(15-13-7)6-3-2-4-6/h6H,2-5H2,1H3
InChIKeyNBUPVIKNAINNDK-UHFFFAOYSA-N
XLogP2.47
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole (CID 68641256) is 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole is CC(F)(F)OCc1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is NBUPVIKNAINNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-9(10,11)14-5-7-12-8(15-13-7)6-3-2-4-6/h6H,2-5H2,1H3.
What are the key properties of 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole?
5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 218.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 68641256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).