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

C5H4F2N2O3 — CID 175397115

IUPAC4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde
SMILESO=Cc1nonc1COC(F)F
InChIInChI=1S/C5H4F2N2O3/c6-5(7)11-2-4-3(1-10)8-12-9-4/h1,5H,2H2
InChIKeyAGYPYQCXRIWDPE-UHFFFAOYSA-N
MW178.09 g/mol
LogP0.62
Rot. Bonds4

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

4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde (PubChem CID 175397115) has the molecular formula C5H4F2N2O3 and a molecular weight of 178.09 g/mol. Its IUPAC name is 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde
PubChem CID175397115
Molecular FormulaC5H4F2N2O3
Molecular Weight178.09 g/mol
Exact Mass178.02
IUPAC Name4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde
SMILESO=Cc1nonc1COC(F)F
InChIInChI=1S/C5H4F2N2O3/c6-5(7)11-2-4-3(1-10)8-12-9-4/h1,5H,2H2
InChIKeyAGYPYQCXRIWDPE-UHFFFAOYSA-N
XLogP0.62
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.09
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde?
The IUPAC name of 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde (CID 175397115) is 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde is O=Cc1nonc1COC(F)F.
What is the InChIKey of 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde?
The InChIKey is AGYPYQCXRIWDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O3/c6-5(7)11-2-4-3(1-10)8-12-9-4/h1,5H,2H2.
What are the key properties of 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde?
4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde has a molecular weight of 178.09 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxymethyl)-1,2,5-oxadiazole-3-carbaldehyde is sourced from PubChem (CID 175397115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).