(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride

C6H13ClNO4P — CID 11746424

IUPAC(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
SMILESCCOP(=O)(C/C(Cl)=N\O)OCC
InChIInChI=1S/C6H13ClNO4P/c1-3-11-13(10,12-4-2)5-6(7)8-9/h9H,3-5H2,1-2H3/b8-6+
InChIKeyGYWVJKDDNJHZOQ-SOFGYWHQSA-N
MW229.60 g/mol
LogP2.28
Rot. Bonds6

About (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride

(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride (PubChem CID 11746424) has the molecular formula C6H13ClNO4P and a molecular weight of 229.60 g/mol. Its IUPAC name is (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride.

Molecular Properties

Compound Name(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
PubChem CID11746424
Molecular FormulaC6H13ClNO4P
Molecular Weight229.60 g/mol
Exact Mass229.03
IUPAC Name(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
SMILESCCOP(=O)(C/C(Cl)=N\O)OCC
InChIInChI=1S/C6H13ClNO4P/c1-3-11-13(10,12-4-2)5-6(7)8-9/h9H,3-5H2,1-2H3/b8-6+
InChIKeyGYWVJKDDNJHZOQ-SOFGYWHQSA-N
XLogP2.28
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.60
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diethyl N-hydroxyethanimidoylphosphonate
CID 9568507
(1Z)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
CID 13547845
N-(diethoxyphosphoryloxy)ethanimidoylchloride
CID 85552833
N-(dimethoxyphosphoryloxy)ethanimidoylchloride
CID 86163354
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
(NZ)-N-(2-chloro-1-diethoxyphosphorylethylidene)hydroxylamine
CID 135084052
(NZ)-N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 5464780
N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 272988
(1Z)-2-dimethoxyphosphoryl-N-hydroxyethanimidoyl chloride
CID 88486904
CID 10012843
CID 10012843
CID 10081324
CID 10081324
[(E)-1-chloroethylideneamino] dimethyl phosphate
CID 10081548

Frequently Asked Questions

What is the IUPAC name of (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride?
The IUPAC name of (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride (CID 11746424) is (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride.
What is the SMILES notation for (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride?
The canonical SMILES for (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride is CCOP(=O)(C/C(Cl)=N\O)OCC.
What is the InChIKey of (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride?
The InChIKey is GYWVJKDDNJHZOQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H13ClNO4P/c1-3-11-13(10,12-4-2)5-6(7)8-9/h9H,3-5H2,1-2H3/b8-6+.
What are the key properties of (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride?
(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride has a molecular weight of 229.60 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride is sourced from PubChem (CID 11746424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).