chloro(2-cyanoethoxy)phosphinous acid

C3H5ClNO2P — CID 86622674

IUPACchloro(2-cyanoethoxy)phosphinous acid
SMILESN#CCCOP(O)Cl
InChIInChI=1S/C3H5ClNO2P/c4-8(6)7-3-1-2-5/h6H,1,3H2
InChIKeyJAUQCRLLVFCJAP-UHFFFAOYSA-N
MW153.50 g/mol
LogP1.37
Rot. Bonds3

About chloro(2-cyanoethoxy)phosphinous acid

chloro(2-cyanoethoxy)phosphinous acid (PubChem CID 86622674) has the molecular formula C3H5ClNO2P and a molecular weight of 153.50 g/mol. Its IUPAC name is chloro(2-cyanoethoxy)phosphinous acid.

Molecular Properties

Compound Namechloro(2-cyanoethoxy)phosphinous acid
PubChem CID86622674
Molecular FormulaC3H5ClNO2P
Molecular Weight153.50 g/mol
Exact Mass152.97
IUPAC Namechloro(2-cyanoethoxy)phosphinous acid
SMILESN#CCCOP(O)Cl
InChIInChI=1S/C3H5ClNO2P/c4-8(6)7-3-1-2-5/h6H,1,3H2
InChIKeyJAUQCRLLVFCJAP-UHFFFAOYSA-N
XLogP1.37
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.50
LogP ≤ 51.37
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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Related Compounds

2-Cyanoethyl dihydrogen phosphate
CID 78715
2-Cyanoethyl dichlorophosphate
CID 13468997
Bis(2-cyanoethyl) phosphorochloridite
CID 11390133
2-Cyanoethoxyphosphonamidous acid
CID 18624438
2-Cyanoethoxy(fluoro)phosphinous acid
CID 53667520
3-[Difluoro(dihydroxy)-lambda5-phosphanyl]oxypropanenitrile
CID 155355939
2-Cyanoethoxy-hydroxy-oxophosphanium
CID 10920557
Bis(2-cyanoethyl) hydrogen phosphite
CID 11652393
2-Cyanoethyl dihydrogen phosphite
CID 14354114
3-Dihydroxyphosphinothioyloxypropanenitrile
CID 14504105
Dichloro 2-cyanoethyl phosphite
CID 18325661
1-Cyanoethyl dihydrogen phosphite
CID 21894524

Frequently Asked Questions

What is the IUPAC name of chloro(2-cyanoethoxy)phosphinous acid?
The IUPAC name of chloro(2-cyanoethoxy)phosphinous acid (CID 86622674) is chloro(2-cyanoethoxy)phosphinous acid.
What is the SMILES notation for chloro(2-cyanoethoxy)phosphinous acid?
The canonical SMILES for chloro(2-cyanoethoxy)phosphinous acid is N#CCCOP(O)Cl.
What is the InChIKey of chloro(2-cyanoethoxy)phosphinous acid?
The InChIKey is JAUQCRLLVFCJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClNO2P/c4-8(6)7-3-1-2-5/h6H,1,3H2.
What are the key properties of chloro(2-cyanoethoxy)phosphinous acid?
chloro(2-cyanoethoxy)phosphinous acid has a molecular weight of 153.50 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(2-cyanoethoxy)phosphinous acid is sourced from PubChem (CID 86622674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).