2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C6H5F4N3O2 — CID 106409869

IUPAC2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESO=C(NCc1ncon1)C(F)(F)C(F)F
InChIInChI=1S/C6H5F4N3O2/c7-4(8)6(9,10)5(14)11-1-3-12-2-15-13-3/h2,4H,1H2,(H,11,14)
InChIKeyJFLXDMFMEOITHU-UHFFFAOYSA-N
MW227.12 g/mol
LogP0.59
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106409869) has the molecular formula C6H5F4N3O2 and a molecular weight of 227.12 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106409869
Molecular FormulaC6H5F4N3O2
Molecular Weight227.12 g/mol
Exact Mass227.03
IUPAC Name2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESO=C(NCc1ncon1)C(F)(F)C(F)F
InChIInChI=1S/C6H5F4N3O2/c7-4(8)6(9,10)5(14)11-1-3-12-2-15-13-3/h2,4H,1H2,(H,11,14)
InChIKeyJFLXDMFMEOITHU-UHFFFAOYSA-N
XLogP0.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.12
LogP ≤ 50.59
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-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106409869) is 2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is O=C(NCc1ncon1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is JFLXDMFMEOITHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3O2/c7-4(8)6(9,10)5(14)11-1-3-12-2-15-13-3/h2,4H,1H2,(H,11,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 227.12 g/mol, XLogP of 0.59, 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-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106409869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).