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

C7H9FN2O3S — CID 116699890

IUPACethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(SCCF)o1
InChIInChI=1S/C7H9FN2O3S/c1-2-12-6(11)5-9-10-7(13-5)14-4-3-8/h2-4H2,1H3
InChIKeyLMTASAHNWOMDRM-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.31
Rot. Bonds5

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

ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 116699890) has the molecular formula C7H9FN2O3S and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID116699890
Molecular FormulaC7H9FN2O3S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Nameethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(SCCF)o1
InChIInChI=1S/C7H9FN2O3S/c1-2-12-6(11)5-9-10-7(13-5)14-4-3-8/h2-4H2,1H3
InChIKeyLMTASAHNWOMDRM-UHFFFAOYSA-N
XLogP1.31
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate (CID 116699890) is ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(SCCF)o1.
What is the InChIKey of ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is LMTASAHNWOMDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3S/c1-2-12-6(11)5-9-10-7(13-5)14-4-3-8/h2-4H2,1H3.
What are the key properties of ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 220.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluoroethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 116699890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).