5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione

C9H7FN2O2S — CID 2404999

IUPAC5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
SMILESFc1ccccc1OCc1n[nH]c(=S)o1
InChIInChI=1S/C9H7FN2O2S/c10-6-3-1-2-4-7(6)13-5-8-11-12-9(15)14-8/h1-4H,5H2,(H,12,15)
InChIKeyGUBJWMWRDXXNGV-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.45
Rot. Bonds3

About 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione

5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 2404999) has the molecular formula C9H7FN2O2S and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID2404999
Molecular FormulaC9H7FN2O2S
Molecular Weight226.23 g/mol
Exact Mass226.02
IUPAC Name5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
SMILESFc1ccccc1OCc1n[nH]c(=S)o1
InChIInChI=1S/C9H7FN2O2S/c10-6-3-1-2-4-7(6)13-5-8-11-12-9(15)14-8/h1-4H,5H2,(H,12,15)
InChIKeyGUBJWMWRDXXNGV-UHFFFAOYSA-N
XLogP2.45
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione (CID 2404999) is 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione is Fc1ccccc1OCc1n[nH]c(=S)o1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is GUBJWMWRDXXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S/c10-6-3-1-2-4-7(6)13-5-8-11-12-9(15)14-8/h1-4H,5H2,(H,12,15).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione?
5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 226.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 2404999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).