(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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Related Compounds

(1E,2E)-N,N'-dihydroxyethanediimidoyl dichloride
CID 135507761
1,1,2,3,4,4-hexachlorobuta-1,3-diene;hydrochloride
CID 157094529
1,1,2,3,4,4-hexachlorobuta-1,3-diene;1,1,1,2,2,2-hexachloroethane
CID 160669279
copper;hypochlorous acid;hydrate
CID 174814635
(1Z,2S)-N-hydroxy-2,3-dimethylbutanimidoyl chloride
CID 122577405
2,3,3-trichloroprop-2-enoic acid
CID 16742
hypochlorous acid
CID 161233655
2-ethyl-N-hydroxybutanimidoyl chloride
CID 72760486
N-hydroxy-2-(4-hydroxyphenyl)-2-oxoethanimidoyl chloride
CID 78408183
(1Z)-N-hydroxy-2-(2-hydroxyiminopropylideneamino)-2-methyliminoethanimidoyl chloride
CID 172965724
1,1,2,3,4-pentachloro-4-hydroxysulfanylbuta-1,3-diene
CID 71324461
(NZ)-N-(1,1-difluoropropan-2-ylidene)hydroxylamine
CID 22769389

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).