bis[chloro(cyano)methoxy]-oxophosphanium

C4H2Cl2N2O3P+ — CID 87671692

IUPACbis[chloro(cyano)methoxy]-oxophosphanium
SMILESN#CC(Cl)O[P+](=O)OC(Cl)C#N
InChIInChI=1S/C4H2Cl2N2O3P/c5-3(1-7)10-12(9)11-4(6)2-8/h3-4H/q+1
InChIKeyFANVJTCFLIXCCW-UHFFFAOYSA-N
MW227.95 g/mol
LogP1.85
Rot. Bonds4

About bis[chloro(cyano)methoxy]-oxophosphanium

bis[chloro(cyano)methoxy]-oxophosphanium (PubChem CID 87671692) has the molecular formula C4H2Cl2N2O3P+ and a molecular weight of 227.95 g/mol. Its IUPAC name is bis[chloro(cyano)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[chloro(cyano)methoxy]-oxophosphanium
PubChem CID87671692
Molecular FormulaC4H2Cl2N2O3P+
Molecular Weight227.95 g/mol
Exact Mass226.92
IUPAC Namebis[chloro(cyano)methoxy]-oxophosphanium
SMILESN#CC(Cl)O[P+](=O)OC(Cl)C#N
InChIInChI=1S/C4H2Cl2N2O3P/c5-3(1-7)10-12(9)11-4(6)2-8/h3-4H/q+1
InChIKeyFANVJTCFLIXCCW-UHFFFAOYSA-N
XLogP1.85
TPSA83.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.95
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 bis[chloro(cyano)methoxy]-oxophosphanium?
The IUPAC name of bis[chloro(cyano)methoxy]-oxophosphanium (CID 87671692) is bis[chloro(cyano)methoxy]-oxophosphanium.
What is the SMILES notation for bis[chloro(cyano)methoxy]-oxophosphanium?
The canonical SMILES for bis[chloro(cyano)methoxy]-oxophosphanium is N#CC(Cl)O[P+](=O)OC(Cl)C#N.
What is the InChIKey of bis[chloro(cyano)methoxy]-oxophosphanium?
The InChIKey is FANVJTCFLIXCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N2O3P/c5-3(1-7)10-12(9)11-4(6)2-8/h3-4H/q+1.
What are the key properties of bis[chloro(cyano)methoxy]-oxophosphanium?
bis[chloro(cyano)methoxy]-oxophosphanium has a molecular weight of 227.95 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[chloro(cyano)methoxy]-oxophosphanium is sourced from PubChem (CID 87671692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).