(1-chloroethylideneamino) dimethyl phosphate

C4H9ClNO4P — CID 86163354

IUPAC(1-chloroethylideneamino) dimethyl phosphate
SMILESCOP(=O)(OC)ON=C(C)Cl
InChIInChI=1S/C4H9ClNO4P/c1-4(5)6-10-11(7,8-2)9-3/h1-3H3
InChIKeyDMQKRAJESIILKF-UHFFFAOYSA-N
MW201.55 g/mol
LogP1.98
Rot. Bonds4

About (1-chloroethylideneamino) dimethyl phosphate

(1-chloroethylideneamino) dimethyl phosphate (PubChem CID 86163354) has the molecular formula C4H9ClNO4P and a molecular weight of 201.55 g/mol. Its IUPAC name is (1-chloroethylideneamino) dimethyl phosphate.

Molecular Properties

Compound Name(1-chloroethylideneamino) dimethyl phosphate
PubChem CID86163354
Molecular FormulaC4H9ClNO4P
Molecular Weight201.55 g/mol
Exact Mass201.00
IUPAC Name(1-chloroethylideneamino) dimethyl phosphate
SMILESCOP(=O)(OC)ON=C(C)Cl
InChIInChI=1S/C4H9ClNO4P/c1-4(5)6-10-11(7,8-2)9-3/h1-3H3
InChIKeyDMQKRAJESIILKF-UHFFFAOYSA-N
XLogP1.98
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.55
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
CID 134985125
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
(1Z)-2-dimethoxyphosphoryl-N-hydroxyethanimidoyl chloride
CID 88486904
(E)-1-dimethoxyphosphoryl-N-methoxyethanimine
CID 145806581
[(E)-1-chloroethylideneamino] dimethyl phosphate
CID 10081548
(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
CID 11746424
N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride
CID 23417981
(1-Chloropropylideneamino) dimethyl phosphate
CID 71335705
[(Z)-1,2-dichloroethylideneamino] dimethyl phosphate
CID 177501455

Frequently Asked Questions

What is the IUPAC name of (1-chloroethylideneamino) dimethyl phosphate?
The IUPAC name of (1-chloroethylideneamino) dimethyl phosphate (CID 86163354) is (1-chloroethylideneamino) dimethyl phosphate.
What is the SMILES notation for (1-chloroethylideneamino) dimethyl phosphate?
The canonical SMILES for (1-chloroethylideneamino) dimethyl phosphate is COP(=O)(OC)ON=C(C)Cl.
What is the InChIKey of (1-chloroethylideneamino) dimethyl phosphate?
The InChIKey is DMQKRAJESIILKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClNO4P/c1-4(5)6-10-11(7,8-2)9-3/h1-3H3.
What are the key properties of (1-chloroethylideneamino) dimethyl phosphate?
(1-chloroethylideneamino) dimethyl phosphate has a molecular weight of 201.55 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloroethylideneamino) dimethyl phosphate is sourced from PubChem (CID 86163354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).