5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole

C6H9FN2O2 — CID 131206907

IUPAC5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(OCCCF)n1
InChIInChI=1S/C6H9FN2O2/c1-5-8-6(11-9-5)10-4-2-3-7/h2-4H2,1H3
InChIKeyAOJVFPUVNARDRT-UHFFFAOYSA-N
MW160.15 g/mol
LogP1.12
Rot. Bonds4

About 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole

5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole (PubChem CID 131206907) has the molecular formula C6H9FN2O2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole
PubChem CID131206907
Molecular FormulaC6H9FN2O2
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(OCCCF)n1
InChIInChI=1S/C6H9FN2O2/c1-5-8-6(11-9-5)10-4-2-3-7/h2-4H2,1H3
InChIKeyAOJVFPUVNARDRT-UHFFFAOYSA-N
XLogP1.12
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole (CID 131206907) is 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole is Cc1noc(OCCCF)n1.
What is the InChIKey of 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole?
The InChIKey is AOJVFPUVNARDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O2/c1-5-8-6(11-9-5)10-4-2-3-7/h2-4H2,1H3.
What are the key properties of 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole?
5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole has a molecular weight of 160.15 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropoxy)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 131206907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).