chloro-ethyl-oxophosphanium

C2H5ClOP+ — CID 12513101

IUPACchloro-ethyl-oxophosphanium
SMILESCC[P+](=O)Cl
InChIInChI=1S/C2H5ClOP/c1-2-5(3)4/h2H2,1H3/q+1
InChIKeyQJNDZSBYUVZKGI-UHFFFAOYSA-N
MW111.49 g/mol
LogP1.99
Rot. Bonds1

About chloro-ethyl-oxophosphanium

chloro-ethyl-oxophosphanium (PubChem CID 12513101) has the molecular formula C2H5ClOP+ and a molecular weight of 111.49 g/mol. Its IUPAC name is chloro-ethyl-oxophosphanium.

Molecular Properties

Compound Namechloro-ethyl-oxophosphanium
PubChem CID12513101
Molecular FormulaC2H5ClOP+
Molecular Weight111.49 g/mol
Exact Mass110.98
IUPAC Namechloro-ethyl-oxophosphanium
SMILESCC[P+](=O)Cl
InChIInChI=1S/C2H5ClOP/c1-2-5(3)4/h2H2,1H3/q+1
InChIKeyQJNDZSBYUVZKGI-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-ethyl-oxophosphanium?
The IUPAC name of chloro-ethyl-oxophosphanium (CID 12513101) is chloro-ethyl-oxophosphanium.
What is the SMILES notation for chloro-ethyl-oxophosphanium?
The canonical SMILES for chloro-ethyl-oxophosphanium is CC[P+](=O)Cl.
What is the InChIKey of chloro-ethyl-oxophosphanium?
The InChIKey is QJNDZSBYUVZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClOP/c1-2-5(3)4/h2H2,1H3/q+1.
What are the key properties of chloro-ethyl-oxophosphanium?
chloro-ethyl-oxophosphanium has a molecular weight of 111.49 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethyl-oxophosphanium is sourced from PubChem (CID 12513101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).