(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride

C5H10Cl2NO3P — CID 134985125

IUPAC(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
SMILESCCCOP(=O)(Cl)O/N=C(/C)Cl
InChIInChI=1S/C5H10Cl2NO3P/c1-3-4-10-12(7,9)11-8-5(2)6/h3-4H2,1-2H3/b8-5-
InChIKeyHRXGBBYVVOAJAT-YVMONPNESA-N
MW234.02 g/mol
LogP3.35
Rot. Bonds5

About (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride

(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride (PubChem CID 134985125) has the molecular formula C5H10Cl2NO3P and a molecular weight of 234.02 g/mol. Its IUPAC name is (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
PubChem CID134985125
Molecular FormulaC5H10Cl2NO3P
Molecular Weight234.02 g/mol
Exact Mass232.98
IUPAC Name(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
SMILESCCCOP(=O)(Cl)O/N=C(/C)Cl
InChIInChI=1S/C5H10Cl2NO3P/c1-3-4-10-12(7,9)11-8-5(2)6/h3-4H2,1-2H3/b8-5-
InChIKeyHRXGBBYVVOAJAT-YVMONPNESA-N
XLogP3.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(dipropyloxyphosphoryloxy)ethanimidoylchloride
CID 23417986
N-(diethoxyphosphoryloxy)ethanimidoylchloride
CID 85552833
N-(dimethoxyphosphoryloxy)ethanimidoylchloride
CID 86163354
N-(isobutoxymethylphosphoryloxy)ethanimidoylchloride
CID 129780606
(1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride
CID 134984107
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
dibutyl [(Z)-1-chloroethylideneamino] phosphate
CID 134994909
[(E)-1-chloroethylideneamino] dimethyl phosphate
CID 10081548
N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride
CID 23417981
Dibutyl (1-chloroethylideneamino) phosphate
CID 71335712
{[(1-Chloroethylidene)amino]oxy}(ethoxymethyl)oxophosphanium
CID 71338968
[(Z)-1,2-dichloroethylideneamino] diethyl phosphate
CID 177529065

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride?
The IUPAC name of (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride (CID 134985125) is (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride.
What is the SMILES notation for (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride?
The canonical SMILES for (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride is CCCOP(=O)(Cl)O/N=C(/C)Cl.
What is the InChIKey of (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride?
The InChIKey is HRXGBBYVVOAJAT-YVMONPNESA-N. The full InChI is InChI=1S/C5H10Cl2NO3P/c1-3-4-10-12(7,9)11-8-5(2)6/h3-4H2,1-2H3/b8-5-.
What are the key properties of (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride?
(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride has a molecular weight of 234.02 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride is sourced from PubChem (CID 134985125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).