chloro-dicyano-ethylphosphanium

C4H5ClN2P+ — CID 87318845

IUPACchloro-dicyano-ethylphosphanium
SMILESCC[P+](Cl)(C#N)C#N
InChIInChI=1S/C4H5ClN2P/c1-2-8(5,3-6)4-7/h2H2,1H3/q+1
InChIKeyGRZIASKQJFXAON-UHFFFAOYSA-N
MW147.53 g/mol
LogP2.14
Rot. Bonds1

About chloro-dicyano-ethylphosphanium

chloro-dicyano-ethylphosphanium (PubChem CID 87318845) has the molecular formula C4H5ClN2P+ and a molecular weight of 147.53 g/mol. Its IUPAC name is chloro-dicyano-ethylphosphanium.

Molecular Properties

Compound Namechloro-dicyano-ethylphosphanium
PubChem CID87318845
Molecular FormulaC4H5ClN2P+
Molecular Weight147.53 g/mol
Exact Mass146.99
IUPAC Namechloro-dicyano-ethylphosphanium
SMILESCC[P+](Cl)(C#N)C#N
InChIInChI=1S/C4H5ClN2P/c1-2-8(5,3-6)4-7/h2H2,1H3/q+1
InChIKeyGRZIASKQJFXAON-UHFFFAOYSA-N
XLogP2.14
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.53
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dicyano-ethylphosphanium?
The IUPAC name of chloro-dicyano-ethylphosphanium (CID 87318845) is chloro-dicyano-ethylphosphanium.
What is the SMILES notation for chloro-dicyano-ethylphosphanium?
The canonical SMILES for chloro-dicyano-ethylphosphanium is CC[P+](Cl)(C#N)C#N.
What is the InChIKey of chloro-dicyano-ethylphosphanium?
The InChIKey is GRZIASKQJFXAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2P/c1-2-8(5,3-6)4-7/h2H2,1H3/q+1.
What are the key properties of chloro-dicyano-ethylphosphanium?
chloro-dicyano-ethylphosphanium has a molecular weight of 147.53 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dicyano-ethylphosphanium is sourced from PubChem (CID 87318845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).