3,3,3-trichloropropanehydrazide

C3H5Cl3N2O — CID 134894748

IUPAC3,3,3-trichloropropanehydrazide
SMILESNNC(=O)CC(Cl)(Cl)Cl
InChIInChI=1S/C3H5Cl3N2O/c4-3(5,6)1-2(9)8-7/h1,7H2,(H,8,9)
InChIKeyGCCNRCLGPXUFED-UHFFFAOYSA-N
MW191.44 g/mol
LogP0.74
Rot. Bonds1

About 3,3,3-trichloropropanehydrazide

3,3,3-trichloropropanehydrazide (PubChem CID 134894748) has the molecular formula C3H5Cl3N2O and a molecular weight of 191.44 g/mol. Its IUPAC name is 3,3,3-trichloropropanehydrazide.

Molecular Properties

Compound Name3,3,3-trichloropropanehydrazide
PubChem CID134894748
Molecular FormulaC3H5Cl3N2O
Molecular Weight191.44 g/mol
Exact Mass189.95
IUPAC Name3,3,3-trichloropropanehydrazide
SMILESNNC(=O)CC(Cl)(Cl)Cl
InChIInChI=1S/C3H5Cl3N2O/c4-3(5,6)1-2(9)8-7/h1,7H2,(H,8,9)
InChIKeyGCCNRCLGPXUFED-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 3,3,3-trichloropropanehydrazide?
The IUPAC name of 3,3,3-trichloropropanehydrazide (CID 134894748) is 3,3,3-trichloropropanehydrazide.
What is the SMILES notation for 3,3,3-trichloropropanehydrazide?
The canonical SMILES for 3,3,3-trichloropropanehydrazide is NNC(=O)CC(Cl)(Cl)Cl.
What is the InChIKey of 3,3,3-trichloropropanehydrazide?
The InChIKey is GCCNRCLGPXUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3N2O/c4-3(5,6)1-2(9)8-7/h1,7H2,(H,8,9).
What are the key properties of 3,3,3-trichloropropanehydrazide?
3,3,3-trichloropropanehydrazide has a molecular weight of 191.44 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trichloropropanehydrazide is sourced from PubChem (CID 134894748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).