(1-chloroethylideneamino) dipropyl phosphate

C8H17ClNO4P — CID 23417986

IUPAC(1-chloroethylideneamino) dipropyl phosphate
SMILESCCCOP(=O)(OCCC)ON=C(C)Cl
InChIInChI=1S/C8H17ClNO4P/c1-4-6-12-15(11,13-7-5-2)14-10-8(3)9/h4-7H2,1-3H3
InChIKeyVSGWESNJVOQBPN-UHFFFAOYSA-N
MW257.65 g/mol
LogP3.54
Rot. Bonds8

About (1-chloroethylideneamino) dipropyl phosphate

(1-chloroethylideneamino) dipropyl phosphate (PubChem CID 23417986) has the molecular formula C8H17ClNO4P and a molecular weight of 257.65 g/mol. Its IUPAC name is (1-chloroethylideneamino) dipropyl phosphate.

Molecular Properties

Compound Name(1-chloroethylideneamino) dipropyl phosphate
PubChem CID23417986
Molecular FormulaC8H17ClNO4P
Molecular Weight257.65 g/mol
Exact Mass257.06
IUPAC Name(1-chloroethylideneamino) dipropyl phosphate
SMILESCCCOP(=O)(OCCC)ON=C(C)Cl
InChIInChI=1S/C8H17ClNO4P/c1-4-6-12-15(11,13-7-5-2)14-10-8(3)9/h4-7H2,1-3H3
InChIKeyVSGWESNJVOQBPN-UHFFFAOYSA-N
XLogP3.54
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 53.54
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

(1-Chloroethylideneamino) bis(2-methylpropyl) phosphate
CID 71335703
(1-Chloroethylideneamino) dipentyl phosphate
CID 71335704
N-(diethoxyphosphoryloxy)ethanimidoylchloride
CID 85552833
N-(dimethoxyphosphoryloxy)ethanimidoylchloride
CID 86163354
N-(dihexoxyphosphoryloxy)ethanimidoylchloride
CID 129780277
N-(di-s-butoxyphosphoryloxy)ethanimidoylchloride
CID 129780633
N-(diisopropyloxyphosphoryloxy)ethanimidoylchloride
CID 129780789
(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
CID 134985125
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
dibutyl [(Z)-1-chloroethylideneamino] phosphate
CID 134994909
[(E)-1-chloroethylideneamino] dimethyl phosphate
CID 10081548
dibutyl [(E)-1,2-dichloroethylideneamino] phosphate
CID 10358608

Frequently Asked Questions

What is the IUPAC name of (1-chloroethylideneamino) dipropyl phosphate?
The IUPAC name of (1-chloroethylideneamino) dipropyl phosphate (CID 23417986) is (1-chloroethylideneamino) dipropyl phosphate.
What is the SMILES notation for (1-chloroethylideneamino) dipropyl phosphate?
The canonical SMILES for (1-chloroethylideneamino) dipropyl phosphate is CCCOP(=O)(OCCC)ON=C(C)Cl.
What is the InChIKey of (1-chloroethylideneamino) dipropyl phosphate?
The InChIKey is VSGWESNJVOQBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClNO4P/c1-4-6-12-15(11,13-7-5-2)14-10-8(3)9/h4-7H2,1-3H3.
What are the key properties of (1-chloroethylideneamino) dipropyl phosphate?
(1-chloroethylideneamino) dipropyl phosphate has a molecular weight of 257.65 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloroethylideneamino) dipropyl phosphate is sourced from PubChem (CID 23417986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).