2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide

C7H7F4N3O2 — CID 103733850

IUPAC2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESO=C(NCCc1ncon1)C(F)(F)C(F)F
InChIInChI=1S/C7H7F4N3O2/c8-5(9)7(10,11)6(15)12-2-1-4-13-3-16-14-4/h3,5H,1-2H2,(H,12,15)
InChIKeyYWNMCLXULLOCIS-UHFFFAOYSA-N
MW241.14 g/mol
LogP0.63
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 103733850) has the molecular formula C7H7F4N3O2 and a molecular weight of 241.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID103733850
Molecular FormulaC7H7F4N3O2
Molecular Weight241.14 g/mol
Exact Mass241.05
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESO=C(NCCc1ncon1)C(F)(F)C(F)F
InChIInChI=1S/C7H7F4N3O2/c8-5(9)7(10,11)6(15)12-2-1-4-13-3-16-14-4/h3,5H,1-2H2,(H,12,15)
InChIKeyYWNMCLXULLOCIS-UHFFFAOYSA-N
XLogP0.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 103733850) is 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is O=C(NCCc1ncon1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is YWNMCLXULLOCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O2/c8-5(9)7(10,11)6(15)12-2-1-4-13-3-16-14-4/h3,5H,1-2H2,(H,12,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 241.14 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 103733850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).