1,2-dichloroethyl(diphenyl)phosphane;nickel

C14H13Cl2NiP — CID 88516422

IUPAC1,2-dichloroethyl(diphenyl)phosphane;nickel
SMILESClCC(Cl)P(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/C14H13Cl2P.Ni/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2;
InChIKeyRZPVLPYBYMSVGM-UHFFFAOYSA-N
MW341.83 g/mol
LogP3.92
Rot. Bonds4

About 1,2-dichloroethyl(diphenyl)phosphane;nickel

1,2-dichloroethyl(diphenyl)phosphane;nickel (PubChem CID 88516422) has the molecular formula C14H13Cl2NiP and a molecular weight of 341.83 g/mol. Its IUPAC name is 1,2-dichloroethyl(diphenyl)phosphane;nickel.

Molecular Properties

Compound Name1,2-dichloroethyl(diphenyl)phosphane;nickel
PubChem CID88516422
Molecular FormulaC14H13Cl2NiP
Molecular Weight341.83 g/mol
Exact Mass339.95
IUPAC Name1,2-dichloroethyl(diphenyl)phosphane;nickel
SMILESClCC(Cl)P(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/C14H13Cl2P.Ni/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2;
InChIKeyRZPVLPYBYMSVGM-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
1-diphenylphosphanylethane-1,2-diamine
CID 70150427
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
bis[bis(diphenylphosphanyl)methyl]mercury
CID 71335163
nickel;tetrakis(triphenylphosphane)
CID 161328494
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284
2-diphenylphosphanylethane-1,1,2-triol
CID 174746690
chloro-phenyl-propan-2-ylphosphane
CID 10867074
(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
CID 87282083

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethyl(diphenyl)phosphane;nickel?
The IUPAC name of 1,2-dichloroethyl(diphenyl)phosphane;nickel (CID 88516422) is 1,2-dichloroethyl(diphenyl)phosphane;nickel.
What is the SMILES notation for 1,2-dichloroethyl(diphenyl)phosphane;nickel?
The canonical SMILES for 1,2-dichloroethyl(diphenyl)phosphane;nickel is ClCC(Cl)P(c1ccccc1)c1ccccc1.[Ni].
What is the InChIKey of 1,2-dichloroethyl(diphenyl)phosphane;nickel?
The InChIKey is RZPVLPYBYMSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2P.Ni/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2;.
What are the key properties of 1,2-dichloroethyl(diphenyl)phosphane;nickel?
1,2-dichloroethyl(diphenyl)phosphane;nickel has a molecular weight of 341.83 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethyl(diphenyl)phosphane;nickel is sourced from PubChem (CID 88516422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).