N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride

C4H8Cl2NO3P — CID 23417981

IUPACN-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride
SMILESCCOP(=O)(Cl)ON=C(C)Cl
InChIInChI=1S/C4H8Cl2NO3P/c1-3-9-11(6,8)10-7-4(2)5/h3H2,1-2H3
InChIKeyVKDLZFHCGKMKAP-UHFFFAOYSA-N
MW219.99 g/mol
LogP2.96
Rot. Bonds4

About N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride

N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride (PubChem CID 23417981) has the molecular formula C4H8Cl2NO3P and a molecular weight of 219.99 g/mol. Its IUPAC name is N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride.

Molecular Properties

Compound NameN-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride
PubChem CID23417981
Molecular FormulaC4H8Cl2NO3P
Molecular Weight219.99 g/mol
Exact Mass218.96
IUPAC NameN-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride
SMILESCCOP(=O)(Cl)ON=C(C)Cl
InChIInChI=1S/C4H8Cl2NO3P/c1-3-9-11(6,8)10-7-4(2)5/h3H2,1-2H3
InChIKeyVKDLZFHCGKMKAP-UHFFFAOYSA-N
XLogP2.96
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.99
LogP ≤ 52.96
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'}

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Related Compounds

(1Z)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
CID 13547845
N-(dipropyloxyphosphoryloxy)ethanimidoylchloride
CID 23417986
N-(diethoxyphosphoryloxy)ethanimidoylchloride
CID 85552833
N-(dimethoxyphosphoryloxy)ethanimidoylchloride
CID 86163354
(1Z)-N-diethoxyphosphinothioyloxyethanimidoyl chloride
CID 134984107
(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
CID 134985125
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
[(E)-1-chloroethylideneamino] dimethyl phosphate
CID 10081548
(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
CID 11746424
{[(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 N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride?
The IUPAC name of N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride (CID 23417981) is N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride.
What is the SMILES notation for N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride?
The canonical SMILES for N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride is CCOP(=O)(Cl)ON=C(C)Cl.
What is the InChIKey of N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride?
The InChIKey is VKDLZFHCGKMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2NO3P/c1-3-9-11(6,8)10-7-4(2)5/h3H2,1-2H3.
What are the key properties of N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride?
N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride has a molecular weight of 219.99 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride is sourced from PubChem (CID 23417981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).