2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide

C6H10F3N3O2 — CID 115521674

IUPAC2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide
SMILESNNC(=O)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)2-1-3-11-4(13)5(14)12-10/h1-3,10H2,(H,11,13)(H,12,14)
InChIKeyDJMBHYDTZRFYAQ-UHFFFAOYSA-N
MW213.16 g/mol
LogP-0.56
Rot. Bonds3

About 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide

2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide (PubChem CID 115521674) has the molecular formula C6H10F3N3O2 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide.

Molecular Properties

Compound Name2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide
PubChem CID115521674
Molecular FormulaC6H10F3N3O2
Molecular Weight213.16 g/mol
Exact Mass213.07
IUPAC Name2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide
SMILESNNC(=O)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)2-1-3-11-4(13)5(14)12-10/h1-3,10H2,(H,11,13)(H,12,14)
InChIKeyDJMBHYDTZRFYAQ-UHFFFAOYSA-N
XLogP-0.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 5-0.56
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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Related Compounds

2-hydrazinyl-2-oxo-N-(3,4,4-trifluorobut-3-enyl)acetamide
CID 15239197
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-2-fluoroacetamide
CID 23554310
N-(2-fluoroethyl)-2-hydrazinyl-2-oxoacetamide
CID 54063162
2-hydrazinyl-2-oxo-N-[1-(trifluoromethoxy)ethyl]acetamide
CID 135231870
2-hydrazinyl-N-(2,2,2-trifluoroethyl)acetamide
CID 143923317
2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide
CID 162354221
Piperazin-2-one;2,2,2-trifluoroacetohydrazide
CID 175168184
2-Hydrazineyl-2-oxo-N-pentylacetamide
CID 43163871
[4-[(2,2,2-Trifluoroacetyl)amino]butylamino]azanium chloride
CID 11075397
2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide
CID 11075398
2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide
CID 39733607
2-hydrazinyl-2-oxo-N-(2,2,2-trifluoroethyl)acetamide
CID 43163996

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide?
The IUPAC name of 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide (CID 115521674) is 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide.
What is the SMILES notation for 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide?
The canonical SMILES for 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide is NNC(=O)C(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide?
The InChIKey is DJMBHYDTZRFYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2/c7-6(8,9)2-1-3-11-4(13)5(14)12-10/h1-3,10H2,(H,11,13)(H,12,14).
What are the key properties of 2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide?
2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutyl)acetamide has a molecular weight of 213.16 g/mol, XLogP of -0.56, 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-(4,4,4-trifluorobutyl)acetamide is sourced from PubChem (CID 115521674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).