N'-(2,2,2-trichloroacetyl)propanehydrazide

C5H7Cl3N2O2 — CID 54460653

IUPACN'-(2,2,2-trichloroacetyl)propanehydrazide
SMILESCCC(=O)NNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C5H7Cl3N2O2/c1-2-3(11)9-10-4(12)5(6,7)8/h2H2,1H3,(H,9,11)(H,10,12)
InChIKeyCZQUQUZYPMQYGA-UHFFFAOYSA-N
MW233.48 g/mol
LogP0.91
Rot. Bonds1

About N'-(2,2,2-trichloroacetyl)propanehydrazide

N'-(2,2,2-trichloroacetyl)propanehydrazide (PubChem CID 54460653) has the molecular formula C5H7Cl3N2O2 and a molecular weight of 233.48 g/mol. Its IUPAC name is N'-(2,2,2-trichloroacetyl)propanehydrazide.

Molecular Properties

Compound NameN'-(2,2,2-trichloroacetyl)propanehydrazide
PubChem CID54460653
Molecular FormulaC5H7Cl3N2O2
Molecular Weight233.48 g/mol
Exact Mass231.96
IUPAC NameN'-(2,2,2-trichloroacetyl)propanehydrazide
SMILESCCC(=O)NNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C5H7Cl3N2O2/c1-2-3(11)9-10-4(12)5(6,7)8/h2H2,1H3,(H,9,11)(H,10,12)
InChIKeyCZQUQUZYPMQYGA-UHFFFAOYSA-N
XLogP0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.48
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 N'-(2,2,2-trichloroacetyl)propanehydrazide?
The IUPAC name of N'-(2,2,2-trichloroacetyl)propanehydrazide (CID 54460653) is N'-(2,2,2-trichloroacetyl)propanehydrazide.
What is the SMILES notation for N'-(2,2,2-trichloroacetyl)propanehydrazide?
The canonical SMILES for N'-(2,2,2-trichloroacetyl)propanehydrazide is CCC(=O)NNC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N'-(2,2,2-trichloroacetyl)propanehydrazide?
The InChIKey is CZQUQUZYPMQYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3N2O2/c1-2-3(11)9-10-4(12)5(6,7)8/h2H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N'-(2,2,2-trichloroacetyl)propanehydrazide?
N'-(2,2,2-trichloroacetyl)propanehydrazide has a molecular weight of 233.48 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trichloroacetyl)propanehydrazide is sourced from PubChem (CID 54460653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).