N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide

C7H8F3N3O3 — CID 7996849

IUPACN'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide
SMILESC/C(CC(=O)C(F)(F)F)=N/NC(=O)C(N)=O
InChIInChI=1S/C7H8F3N3O3/c1-3(2-4(14)7(8,9)10)12-13-6(16)5(11)15/h2H2,1H3,(H2,11,15)(H,13,16)/b12-3-
InChIKeyBINUKHXTXFBXLD-BASWHVEKSA-N
MW239.15 g/mol
LogP-0.51
Rot. Bonds3

About N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide

N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide (PubChem CID 7996849) has the molecular formula C7H8F3N3O3 and a molecular weight of 239.15 g/mol. Its IUPAC name is N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide
PubChem CID7996849
Molecular FormulaC7H8F3N3O3
Molecular Weight239.15 g/mol
Exact Mass239.05
IUPAC NameN'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide
SMILESC/C(CC(=O)C(F)(F)F)=N/NC(=O)C(N)=O
InChIInChI=1S/C7H8F3N3O3/c1-3(2-4(14)7(8,9)10)12-13-6(16)5(11)15/h2H2,1H3,(H2,11,15)(H,13,16)/b12-3-
InChIKeyBINUKHXTXFBXLD-BASWHVEKSA-N
XLogP-0.51
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide
CID 9717971
Acetylacetone-acetylhydrazone
CID 129860631
2-cyano-N'-(5,5,5-trifluoro-4-oxopentan-2-ylidene)acetohydrazide
CID 4269016
2-cyano-N-[(E)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]acetamide
CID 6053740
2-cyano-N-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]acetamide
CID 6381394
N'-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide
CID 72067514
2,2,2-trifluoro-N-(pentan-3-ylideneamino)acetamide
CID 130702982
2,2,2-trifluoro-N-[(E)-pentan-2-ylideneamino]acetamide
CID 133682352
N'-[(E)-5-oxohexan-2-ylideneamino]oxamide
CID 89370973
N'-[(E)-3-oxobutan-2-ylideneamino]oxamide
CID 133620339
N-[(E)-4-oxopentan-2-ylideneamino]acetamide
CID 133620478
N-[(Z)-2-oxopentan-3-ylideneamino]acetamide
CID 133671082

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide?
The IUPAC name of N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide (CID 7996849) is N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide.
What is the SMILES notation for N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide?
The canonical SMILES for N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide is C/C(CC(=O)C(F)(F)F)=N/NC(=O)C(N)=O.
What is the InChIKey of N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide?
The InChIKey is BINUKHXTXFBXLD-BASWHVEKSA-N. The full InChI is InChI=1S/C7H8F3N3O3/c1-3(2-4(14)7(8,9)10)12-13-6(16)5(11)15/h2H2,1H3,(H2,11,15)(H,13,16)/b12-3-.
What are the key properties of N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide?
N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide has a molecular weight of 239.15 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]oxamide is sourced from PubChem (CID 7996849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).