N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide

C6H8Cl3N3 — CID 11333665

IUPACN'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide
SMILES[H]/N=C(/N=C(\N)C1CC1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl3N3/c7-6(8,9)5(11)12-4(10)3-1-2-3/h3H,1-2H2,(H3,10,11,12)
InChIKeyFIPLWXWZWFSGJR-UHFFFAOYSA-N
MW228.51 g/mol
LogP2.10
Rot. Bonds1

About N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide

N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide (PubChem CID 11333665) has the molecular formula C6H8Cl3N3 and a molecular weight of 228.51 g/mol. Its IUPAC name is N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide
PubChem CID11333665
Molecular FormulaC6H8Cl3N3
Molecular Weight228.51 g/mol
Exact Mass226.98
IUPAC NameN'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide
SMILES[H]/N=C(/N=C(\N)C1CC1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl3N3/c7-6(8,9)5(11)12-4(10)3-1-2-3/h3H,1-2H2,(H3,10,11,12)
InChIKeyFIPLWXWZWFSGJR-UHFFFAOYSA-N
XLogP2.10
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide 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-trichloroethanimidoyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide (CID 11333665) is N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide is [H]/N=C(/N=C(\N)C1CC1)C(Cl)(Cl)Cl.
What is the InChIKey of N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide?
The InChIKey is FIPLWXWZWFSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl3N3/c7-6(8,9)5(11)12-4(10)3-1-2-3/h3H,1-2H2,(H3,10,11,12).
What are the key properties of N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide?
N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide has a molecular weight of 228.51 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trichloroethanimidoyl)cyclopropanecarboximidamide is sourced from PubChem (CID 11333665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).