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

C8H10F2N2O2 — CID 68641819

IUPAC5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole
SMILESCC(F)(F)OCc1noc(C2CC2)n1
InChIInChI=1S/C8H10F2N2O2/c1-8(9,10)13-4-6-11-7(14-12-6)5-2-3-5/h5H,2-4H2,1H3
InChIKeyPIHYQLMBFIYGPJ-UHFFFAOYSA-N
MW204.18 g/mol
LogP2.08
Rot. Bonds4

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

5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole (PubChem CID 68641819) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole
PubChem CID68641819
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole
SMILESCC(F)(F)OCc1noc(C2CC2)n1
InChIInChI=1S/C8H10F2N2O2/c1-8(9,10)13-4-6-11-7(14-12-6)5-2-3-5/h5H,2-4H2,1H3
InChIKeyPIHYQLMBFIYGPJ-UHFFFAOYSA-N
XLogP2.08
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole (CID 68641819) is 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole is CC(F)(F)OCc1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is PIHYQLMBFIYGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-8(9,10)13-4-6-11-7(14-12-6)5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 204.18 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1,1-difluoroethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 68641819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).