2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide

C5H8F3N3O3 — CID 135231870

IUPAC2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide
SMILESCC(NC(=O)C(=O)NN)OC(F)(F)F
InChIInChI=1S/C5H8F3N3O3/c1-2(14-5(6,7)8)10-3(12)4(13)11-9/h2H,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyFMULPMVSUBFZOH-UHFFFAOYSA-N
MW215.13 g/mol
LogP-1.03
Rot. Bonds2

About 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide

2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide (PubChem CID 135231870) has the molecular formula C5H8F3N3O3 and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide
PubChem CID135231870
Molecular FormulaC5H8F3N3O3
Molecular Weight215.13 g/mol
Exact Mass215.05
IUPAC Name2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide
SMILESCC(NC(=O)C(=O)NN)OC(F)(F)F
InChIInChI=1S/C5H8F3N3O3/c1-2(14-5(6,7)8)10-3(12)4(13)11-9/h2H,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyFMULPMVSUBFZOH-UHFFFAOYSA-N
XLogP-1.03
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide?
The IUPAC name of 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide (CID 135231870) is 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide.
What is the SMILES notation for 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide?
The canonical SMILES for 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide is CC(NC(=O)C(=O)NN)OC(F)(F)F.
What is the InChIKey of 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide?
The InChIKey is FMULPMVSUBFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3O3/c1-2(14-5(6,7)8)10-3(12)4(13)11-9/h2H,9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide?
2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide has a molecular weight of 215.13 g/mol, XLogP of -1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide is sourced from PubChem (CID 135231870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).