3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole

C6H8F2N2O2 — CID 157031769

IUPAC3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole
SMILESCCc1nonc1COC(F)F
InChIInChI=1S/C6H8F2N2O2/c1-2-4-5(10-12-9-4)3-11-6(7)8/h6H,2-3H2,1H3
InChIKeyFHUPXQPZWHLRJU-UHFFFAOYSA-N
MW178.14 g/mol
LogP1.37
Rot. Bonds4

About 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole

3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole (PubChem CID 157031769) has the molecular formula C6H8F2N2O2 and a molecular weight of 178.14 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole
PubChem CID157031769
Molecular FormulaC6H8F2N2O2
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC Name3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole
SMILESCCc1nonc1COC(F)F
InChIInChI=1S/C6H8F2N2O2/c1-2-4-5(10-12-9-4)3-11-6(7)8/h6H,2-3H2,1H3
InChIKeyFHUPXQPZWHLRJU-UHFFFAOYSA-N
XLogP1.37
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole?
The IUPAC name of 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole (CID 157031769) is 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole?
The canonical SMILES for 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole is CCc1nonc1COC(F)F.
What is the InChIKey of 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole?
The InChIKey is FHUPXQPZWHLRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O2/c1-2-4-5(10-12-9-4)3-11-6(7)8/h6H,2-3H2,1H3.
What are the key properties of 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole?
3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole has a molecular weight of 178.14 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-4-ethyl-1,2,5-oxadiazole is sourced from PubChem (CID 157031769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).