(1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride

C3HCl4NO — CID 134856758

IUPAC(1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride
SMILESO/N=C(\Cl)C(Cl)=C(Cl)Cl
InChIInChI=1S/C3HCl4NO/c4-1(2(5)6)3(7)8-9/h9H/b8-3-
InChIKeyQSXZXCZUAVUQOQ-BAQGIRSFSA-N
MW208.86 g/mol
LogP2.90
Rot. Bonds1

About (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride

(1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride (PubChem CID 134856758) has the molecular formula C3HCl4NO and a molecular weight of 208.86 g/mol. Its IUPAC name is (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride.

Molecular Properties

Compound Name(1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride
PubChem CID134856758
Molecular FormulaC3HCl4NO
Molecular Weight208.86 g/mol
Exact Mass206.88
IUPAC Name(1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride
SMILESO/N=C(\Cl)C(Cl)=C(Cl)Cl
InChIInChI=1S/C3HCl4NO/c4-1(2(5)6)3(7)8-9/h9H/b8-3-
InChIKeyQSXZXCZUAVUQOQ-BAQGIRSFSA-N
XLogP2.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.86
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride?
The IUPAC name of (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride (CID 134856758) is (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride.
What is the SMILES notation for (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride?
The canonical SMILES for (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride is O/N=C(\Cl)C(Cl)=C(Cl)Cl.
What is the InChIKey of (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride?
The InChIKey is QSXZXCZUAVUQOQ-BAQGIRSFSA-N. The full InChI is InChI=1S/C3HCl4NO/c4-1(2(5)6)3(7)8-9/h9H/b8-3-.
What are the key properties of (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride?
(1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride has a molecular weight of 208.86 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,3,3-trichloro-N-hydroxyprop-2-enimidoyl chloride is sourced from PubChem (CID 134856758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).