ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate

C6H8F2N2O3 — CID 162616879

IUPACethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate
SMILESCCOC(=O)C1=NONC1C(F)F
InChIInChI=1S/C6H8F2N2O3/c1-2-12-6(11)4-3(5(7)8)9-13-10-4/h3,5,9H,2H2,1H3
InChIKeyQFCWCXHGHZUZKV-UHFFFAOYSA-N
MW194.14 g/mol
LogP0.07
Rot. Bonds3

About ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate

ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate (PubChem CID 162616879) has the molecular formula C6H8F2N2O3 and a molecular weight of 194.14 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate
PubChem CID162616879
Molecular FormulaC6H8F2N2O3
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC Nameethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate
SMILESCCOC(=O)C1=NONC1C(F)F
InChIInChI=1S/C6H8F2N2O3/c1-2-12-6(11)4-3(5(7)8)9-13-10-4/h3,5,9H,2H2,1H3
InChIKeyQFCWCXHGHZUZKV-UHFFFAOYSA-N
XLogP0.07
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate (CID 162616879) is ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate is CCOC(=O)C1=NONC1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate?
The InChIKey is QFCWCXHGHZUZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O3/c1-2-12-6(11)4-3(5(7)8)9-13-10-4/h3,5,9H,2H2,1H3.
What are the key properties of ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate?
ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate has a molecular weight of 194.14 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)-2,3-dihydro-1,2,5-oxadiazole-4-carboxylate is sourced from PubChem (CID 162616879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).