2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide

C6H8F3N3O2 — CID 15239197

IUPAC2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide
SMILESNNC(=O)C(=O)NCCC(F)=C(F)F
InChIInChI=1S/C6H8F3N3O2/c7-3(4(8)9)1-2-11-5(13)6(14)12-10/h1-2,10H2,(H,11,13)(H,12,14)
InChIKeyXAEXWNUKRWQSSY-UHFFFAOYSA-N
MW211.14 g/mol
LogP-0.44
Rot. Bonds3

About 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide

2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide (PubChem CID 15239197) has the molecular formula C6H8F3N3O2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide.

Molecular Properties

Compound Name2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide
PubChem CID15239197
Molecular FormulaC6H8F3N3O2
Molecular Weight211.14 g/mol
Exact Mass211.06
IUPAC Name2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide
SMILESNNC(=O)C(=O)NCCC(F)=C(F)F
InChIInChI=1S/C6H8F3N3O2/c7-3(4(8)9)1-2-11-5(13)6(14)12-10/h1-2,10H2,(H,11,13)(H,12,14)
InChIKeyXAEXWNUKRWQSSY-UHFFFAOYSA-N
XLogP-0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(3,4,4-trifluorobut-3-enyl)acetamide?
The IUPAC name of 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide (CID 15239197) is 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide.
What is the SMILES notation for 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide?
The canonical SMILES for 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide is NNC(=O)C(=O)NCCC(F)=C(F)F.
What is the InChIKey of 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide?
The InChIKey is XAEXWNUKRWQSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2/c7-3(4(8)9)1-2-11-5(13)6(14)12-10/h1-2,10H2,(H,11,13)(H,12,14).
What are the key properties of 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide?
2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide has a molecular weight of 211.14 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide is sourced from PubChem (CID 15239197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).