2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide

C7H6F4N2O2 — CID 106423346

IUPAC2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide
SMILESO=C(NCc1ccno1)C(F)(F)C(F)F
InChIInChI=1S/C7H6F4N2O2/c8-5(9)7(10,11)6(14)12-3-4-1-2-13-15-4/h1-2,5H,3H2,(H,12,14)
InChIKeyKGCZTYHUQSYMKP-UHFFFAOYSA-N
MW226.13 g/mol
LogP1.19
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide

2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide (PubChem CID 106423346) has the molecular formula C7H6F4N2O2 and a molecular weight of 226.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide
PubChem CID106423346
Molecular FormulaC7H6F4N2O2
Molecular Weight226.13 g/mol
Exact Mass226.04
IUPAC Name2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide
SMILESO=C(NCc1ccno1)C(F)(F)C(F)F
InChIInChI=1S/C7H6F4N2O2/c8-5(9)7(10,11)6(14)12-3-4-1-2-13-15-4/h1-2,5H,3H2,(H,12,14)
InChIKeyKGCZTYHUQSYMKP-UHFFFAOYSA-N
XLogP1.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 51.19
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-5-ylmethyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide (CID 106423346) is 2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide is O=C(NCc1ccno1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide?
The InChIKey is KGCZTYHUQSYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2/c8-5(9)7(10,11)6(14)12-3-4-1-2-13-15-4/h1-2,5H,3H2,(H,12,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide?
2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide has a molecular weight of 226.13 g/mol, XLogP of 1.19, 4 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-5-ylmethyl)propanamide is sourced from PubChem (CID 106423346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).