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

C7H6F5N3O2 — CID 106409928

IUPAC2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESO=C(NCCc1ncon1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F5N3O2/c8-6(9,7(10,11)12)5(16)13-2-1-4-14-3-17-15-4/h3H,1-2H2,(H,13,16)
InChIKeyDDWIAAVSJDXBJV-UHFFFAOYSA-N
MW259.13 g/mol
LogP0.93
Rot. Bonds4

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

2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 106409928) has the molecular formula C7H6F5N3O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID106409928
Molecular FormulaC7H6F5N3O2
Molecular Weight259.13 g/mol
Exact Mass259.04
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESO=C(NCCc1ncon1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F5N3O2/c8-6(9,7(10,11)12)5(16)13-2-1-4-14-3-17-15-4/h3H,1-2H2,(H,13,16)
InChIKeyDDWIAAVSJDXBJV-UHFFFAOYSA-N
XLogP0.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 50.93
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 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 106409928) is 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is O=C(NCCc1ncon1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is DDWIAAVSJDXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5N3O2/c8-6(9,7(10,11)12)5(16)13-2-1-4-14-3-17-15-4/h3H,1-2H2,(H,13,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 259.13 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 106409928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).