2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide

C7H12F3N3O2 — CID 115521676

IUPAC2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide
SMILESNNC(=O)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2/c8-7(9,10)3-1-2-4-12-5(14)6(15)13-11/h1-4,11H2,(H,12,14)(H,13,15)
InChIKeyKJQLXSWEVNVHPA-UHFFFAOYSA-N
MW227.19 g/mol
LogP-0.17
Rot. Bonds4

About 2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide

2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide (PubChem CID 115521676) has the molecular formula C7H12F3N3O2 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide.

Molecular Properties

Compound Name2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide
PubChem CID115521676
Molecular FormulaC7H12F3N3O2
Molecular Weight227.19 g/mol
Exact Mass227.09
IUPAC Name2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide
SMILESNNC(=O)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2/c8-7(9,10)3-1-2-4-12-5(14)6(15)13-11/h1-4,11H2,(H,12,14)(H,13,15)
InChIKeyKJQLXSWEVNVHPA-UHFFFAOYSA-N
XLogP-0.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(5,5,5-trifluoropentyl)acetamide?
The IUPAC name of 2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide (CID 115521676) is 2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide.
What is the SMILES notation for 2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide?
The canonical SMILES for 2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide is NNC(=O)C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide?
The InChIKey is KJQLXSWEVNVHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2/c8-7(9,10)3-1-2-4-12-5(14)6(15)13-11/h1-4,11H2,(H,12,14)(H,13,15).
What are the key properties of 2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide?
2-hydrazinyl-2-oxo-N-(5,5,5-trifluoropentyl)acetamide has a molecular weight of 227.19 g/mol, XLogP of -0.17, 4 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-(5,5,5-trifluoropentyl)acetamide is sourced from PubChem (CID 115521676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).