2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide

C10H11Cl3N2 — CID 12504724

IUPAC2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide
SMILESN/C(=N\CCc1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl3N2/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,14,15)
InChIKeyOYLVEMNTNMYQRB-UHFFFAOYSA-N
MW265.57 g/mol
LogP2.96
Rot. Bonds3

About 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide

2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide (PubChem CID 12504724) has the molecular formula C10H11Cl3N2 and a molecular weight of 265.57 g/mol. Its IUPAC name is 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide.

Molecular Properties

Compound Name2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide
PubChem CID12504724
Molecular FormulaC10H11Cl3N2
Molecular Weight265.57 g/mol
Exact Mass264.00
IUPAC Name2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide
SMILESN/C(=N\CCc1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl3N2/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,14,15)
InChIKeyOYLVEMNTNMYQRB-UHFFFAOYSA-N
XLogP2.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide?
The IUPAC name of 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide (CID 12504724) is 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide.
What is the SMILES notation for 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide?
The canonical SMILES for 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide is N/C(=N\CCc1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide?
The InChIKey is OYLVEMNTNMYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,14,15).
What are the key properties of 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide?
2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide has a molecular weight of 265.57 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N'-(2-phenylethyl)ethanimidamide is sourced from PubChem (CID 12504724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).