2-chloroethoxyphosphonamidic acid

C2H7ClNO3P — CID 154086077

IUPAC2-chloroethoxyphosphonamidic acid
SMILESNP(=O)(O)OCCCl
InChIInChI=1S/C2H7ClNO3P/c3-1-2-7-8(4,5)6/h1-2H2,(H3,4,5,6)
InChIKeyDBIJUVRKRNJAQM-UHFFFAOYSA-N
MW159.51 g/mol
LogP0.30
Rot. Bonds3

About 2-chloroethoxyphosphonamidic acid

2-chloroethoxyphosphonamidic acid (PubChem CID 154086077) has the molecular formula C2H7ClNO3P and a molecular weight of 159.51 g/mol. Its IUPAC name is 2-chloroethoxyphosphonamidic acid.

Molecular Properties

Compound Name2-chloroethoxyphosphonamidic acid
PubChem CID154086077
Molecular FormulaC2H7ClNO3P
Molecular Weight159.51 g/mol
Exact Mass158.99
IUPAC Name2-chloroethoxyphosphonamidic acid
SMILESNP(=O)(O)OCCCl
InChIInChI=1S/C2H7ClNO3P/c3-1-2-7-8(4,5)6/h1-2H2,(H3,4,5,6)
InChIKeyDBIJUVRKRNJAQM-UHFFFAOYSA-N
XLogP0.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.51
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxyphosphonamidic acid?
The IUPAC name of 2-chloroethoxyphosphonamidic acid (CID 154086077) is 2-chloroethoxyphosphonamidic acid.
What is the SMILES notation for 2-chloroethoxyphosphonamidic acid?
The canonical SMILES for 2-chloroethoxyphosphonamidic acid is NP(=O)(O)OCCCl.
What is the InChIKey of 2-chloroethoxyphosphonamidic acid?
The InChIKey is DBIJUVRKRNJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7ClNO3P/c3-1-2-7-8(4,5)6/h1-2H2,(H3,4,5,6).
What are the key properties of 2-chloroethoxyphosphonamidic acid?
2-chloroethoxyphosphonamidic acid has a molecular weight of 159.51 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxyphosphonamidic acid is sourced from PubChem (CID 154086077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).