2-cyanoethoxyphosphinous acid

C3H6NO2P — CID 88909223

IUPAC2-cyanoethoxyphosphinous acid
SMILESN#CCCOPO
InChIInChI=1S/C3H6NO2P/c4-2-1-3-6-7-5/h5,7H,1,3H2
InChIKeyFGHUNFGZVRTKGC-UHFFFAOYSA-N
MW119.06 g/mol
LogP0.42
Rot. Bonds3

About 2-cyanoethoxyphosphinous acid

2-cyanoethoxyphosphinous acid (PubChem CID 88909223) has the molecular formula C3H6NO2P and a molecular weight of 119.06 g/mol. Its IUPAC name is 2-cyanoethoxyphosphinous acid.

Molecular Properties

Compound Name2-cyanoethoxyphosphinous acid
PubChem CID88909223
Molecular FormulaC3H6NO2P
Molecular Weight119.06 g/mol
Exact Mass119.01
IUPAC Name2-cyanoethoxyphosphinous acid
SMILESN#CCCOPO
InChIInChI=1S/C3H6NO2P/c4-2-1-3-6-7-5/h5,7H,1,3H2
InChIKeyFGHUNFGZVRTKGC-UHFFFAOYSA-N
XLogP0.42
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.06
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxyphosphinous acid?
The IUPAC name of 2-cyanoethoxyphosphinous acid (CID 88909223) is 2-cyanoethoxyphosphinous acid.
What is the SMILES notation for 2-cyanoethoxyphosphinous acid?
The canonical SMILES for 2-cyanoethoxyphosphinous acid is N#CCCOPO.
What is the InChIKey of 2-cyanoethoxyphosphinous acid?
The InChIKey is FGHUNFGZVRTKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2P/c4-2-1-3-6-7-5/h5,7H,1,3H2.
What are the key properties of 2-cyanoethoxyphosphinous acid?
2-cyanoethoxyphosphinous acid has a molecular weight of 119.06 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxyphosphinous acid is sourced from PubChem (CID 88909223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).