2,5-dichlorobenzenediazonium hexafluorophosphate

C6H3Cl2F6N2P — CID 22912688

IUPAC2,5-dichlorobenzenediazonium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.N#[N+]c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H3Cl2N2.F6P/c7-4-1-2-5(8)6(3-4)10-9;1-7(2,3,4,5)6/h1-3H;/q+1;-1
InChIKeyPYYMDZODQUECLM-UHFFFAOYSA-N
MW318.97 g/mol
LogP6.86
Rot. Bonds

About 2,5-dichlorobenzenediazonium hexafluorophosphate

2,5-dichlorobenzenediazonium hexafluorophosphate (PubChem CID 22912688) has the molecular formula C6H3Cl2F6N2P and a molecular weight of 318.97 g/mol. Its IUPAC name is 2,5-dichlorobenzenediazonium hexafluorophosphate.

Molecular Properties

Compound Name2,5-dichlorobenzenediazonium hexafluorophosphate
PubChem CID22912688
Molecular FormulaC6H3Cl2F6N2P
Molecular Weight318.97 g/mol
Exact Mass317.93
IUPAC Name2,5-dichlorobenzenediazonium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.N#[N+]c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H3Cl2N2.F6P/c7-4-1-2-5(8)6(3-4)10-9;1-7(2,3,4,5)6/h1-3H;/q+1;-1
InChIKeyPYYMDZODQUECLM-UHFFFAOYSA-N
XLogP6.86
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.97
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichlorobenzenediazonium hexafluorophosphate
CID 18471224
2-bromo-5-chlorobenzenediazonium tetrafluoroborate
CID 82973544
2,4-dichlorobenzenediazonium;trichloroiron;chloride
CID 139974846
1,4-dichloro-2-(diazonioamino)benzene
CID 21276638
4-chloro-2-ethylbenzenediazonium
CID 88574600
formonitrile;1,2,4-trichlorobenzene
CID 174386520
2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate
CID 175412501
methane;1,2,4-trichlorobenzene
CID 157397102
(2,5-dichlorophenyl)azanium chloride
CID 53446797
2-chloro-3-fluorobenzenediazonium tetrafluoroborate
CID 87707531
2,4-dichloro-5-fluorobenzenediazonium acetate
CID 22410778
2,4-dichloroaniline;molecular nitrogen
CID 69010854

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorobenzenediazonium hexafluorophosphate?
The IUPAC name of 2,5-dichlorobenzenediazonium hexafluorophosphate (CID 22912688) is 2,5-dichlorobenzenediazonium hexafluorophosphate.
What is the SMILES notation for 2,5-dichlorobenzenediazonium hexafluorophosphate?
The canonical SMILES for 2,5-dichlorobenzenediazonium hexafluorophosphate is F[P-](F)(F)(F)(F)F.N#[N+]c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichlorobenzenediazonium hexafluorophosphate?
The InChIKey is PYYMDZODQUECLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N2.F6P/c7-4-1-2-5(8)6(3-4)10-9;1-7(2,3,4,5)6/h1-3H;/q+1;-1.
What are the key properties of 2,5-dichlorobenzenediazonium hexafluorophosphate?
2,5-dichlorobenzenediazonium hexafluorophosphate has a molecular weight of 318.97 g/mol, XLogP of 6.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorobenzenediazonium hexafluorophosphate is sourced from PubChem (CID 22912688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).