2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide

C6H4F4N2O2 — CID 103733416

IUPAC2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide
SMILESO=C(Nc1cnoc1)C(F)(F)C(F)F
InChIInChI=1S/C6H4F4N2O2/c7-4(8)6(9,10)5(13)12-3-1-11-14-2-3/h1-2,4H,(H,12,13)
InChIKeyVDCQDZUEXINWOS-UHFFFAOYSA-N
MW212.10 g/mol
LogP1.51
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide

2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide (PubChem CID 103733416) has the molecular formula C6H4F4N2O2 and a molecular weight of 212.10 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide
PubChem CID103733416
Molecular FormulaC6H4F4N2O2
Molecular Weight212.10 g/mol
Exact Mass212.02
IUPAC Name2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide
SMILESO=C(Nc1cnoc1)C(F)(F)C(F)F
InChIInChI=1S/C6H4F4N2O2/c7-4(8)6(9,10)5(13)12-3-1-11-14-2-3/h1-2,4H,(H,12,13)
InChIKeyVDCQDZUEXINWOS-UHFFFAOYSA-N
XLogP1.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-oxazol-4-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide (CID 103733416) is 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide is O=C(Nc1cnoc1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide?
The InChIKey is VDCQDZUEXINWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O2/c7-4(8)6(9,10)5(13)12-3-1-11-14-2-3/h1-2,4H,(H,12,13).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide?
2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide has a molecular weight of 212.10 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 103733416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).