N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide

C7H6F3N3O2 — CID 2726662

IUPACN'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)c1ccc[nH]1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)6(15)13-12-5(14)4-2-1-3-11-4/h1-3,11H,(H,12,14)(H,13,15)
InChIKeyBVZWUIPVJVTENF-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.34
Rot. Bonds1

About N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide

N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 2726662) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide
PubChem CID2726662
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC NameN'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)c1ccc[nH]1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)6(15)13-12-5(14)4-2-1-3-11-4/h1-3,11H,(H,12,14)(H,13,15)
InChIKeyBVZWUIPVJVTENF-UHFFFAOYSA-N
XLogP0.34
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide (CID 2726662) is N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)C(F)(F)F)c1ccc[nH]1.
What is the InChIKey of N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is BVZWUIPVJVTENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)6(15)13-12-5(14)4-2-1-3-11-4/h1-3,11H,(H,12,14)(H,13,15).
What are the key properties of N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide?
N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 221.14 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 2726662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).