2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide

C5H4F6N2O2 — CID 12955812

IUPAC2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide
SMILESCN(NC(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C5H4F6N2O2/c1-13(3(15)5(9,10)11)12-2(14)4(6,7)8/h1H3,(H,12,14)
InChIKeyHFJMBJBZLRKLFX-UHFFFAOYSA-N
MW238.09 g/mol
LogP0.60
Rot. Bonds

About 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide

2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide (PubChem CID 12955812) has the molecular formula C5H4F6N2O2 and a molecular weight of 238.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide
PubChem CID12955812
Molecular FormulaC5H4F6N2O2
Molecular Weight238.09 g/mol
Exact Mass238.02
IUPAC Name2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide
SMILESCN(NC(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C5H4F6N2O2/c1-13(3(15)5(9,10)11)12-2(14)4(6,7)8/h1H3,(H,12,14)
InChIKeyHFJMBJBZLRKLFX-UHFFFAOYSA-N
XLogP0.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide (CID 12955812) is 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide is CN(NC(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide?
The InChIKey is HFJMBJBZLRKLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6N2O2/c1-13(3(15)5(9,10)11)12-2(14)4(6,7)8/h1H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide?
2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide has a molecular weight of 238.09 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-methyl-N'-(2,2,2-trifluoroacetyl)acetohydrazide is sourced from PubChem (CID 12955812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).