2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride

C6H10Cl4N2 — CID 12504740

IUPAC2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride
SMILESC=CCN/C(=N\C)C(Cl)(Cl)Cl.Cl
InChIInChI=1S/C6H9Cl3N2.ClH/c1-3-4-11-5(10-2)6(7,8)9;/h3H,1,4H2,2H3,(H,10,11);1H
InChIKeyPLMSRZRILMKWOF-UHFFFAOYSA-N
MW251.97 g/mol
LogP2.58
Rot. Bonds2

About 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride

2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride (PubChem CID 12504740) has the molecular formula C6H10Cl4N2 and a molecular weight of 251.97 g/mol. Its IUPAC name is 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride
PubChem CID12504740
Molecular FormulaC6H10Cl4N2
Molecular Weight251.97 g/mol
Exact Mass249.96
IUPAC Name2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride
SMILESC=CCN/C(=N\C)C(Cl)(Cl)Cl.Cl
InChIInChI=1S/C6H9Cl3N2.ClH/c1-3-4-11-5(10-2)6(7,8)9;/h3H,1,4H2,2H3,(H,10,11);1H
InChIKeyPLMSRZRILMKWOF-UHFFFAOYSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.97
LogP ≤ 52.58
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride?
The IUPAC name of 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride (CID 12504740) is 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride.
What is the SMILES notation for 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride?
The canonical SMILES for 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride is C=CCN/C(=N\C)C(Cl)(Cl)Cl.Cl.
What is the InChIKey of 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride?
The InChIKey is PLMSRZRILMKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl3N2.ClH/c1-3-4-11-5(10-2)6(7,8)9;/h3H,1,4H2,2H3,(H,10,11);1H.
What are the key properties of 2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride?
2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride has a molecular weight of 251.97 g/mol, XLogP of 2.58, 2 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'-methyl-N-prop-2-enylethanimidamide;hydrochloride is sourced from PubChem (CID 12504740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).