2,6-dichloro-4-(trifluoromethyl)benzenediazonium

C7H2Cl2F3N2+ — CID 19785864

IUPAC2,6-dichloro-4-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2H/q+1
InChIKeyXDEVRHDNIRQTHG-UHFFFAOYSA-N
MW242.01 g/mol
LogP4.50
Rot. Bonds

About 2,6-dichloro-4-(trifluoromethyl)benzenediazonium

2,6-dichloro-4-(trifluoromethyl)benzenediazonium (PubChem CID 19785864) has the molecular formula C7H2Cl2F3N2+ and a molecular weight of 242.01 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethyl)benzenediazonium.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethyl)benzenediazonium
PubChem CID19785864
Molecular FormulaC7H2Cl2F3N2+
Molecular Weight242.01 g/mol
Exact Mass240.95
IUPAC Name2,6-dichloro-4-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2H/q+1
InChIKeyXDEVRHDNIRQTHG-UHFFFAOYSA-N
XLogP4.50
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.01
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(trifluoromethyl)benzenediazonium?
The IUPAC name of 2,6-dichloro-4-(trifluoromethyl)benzenediazonium (CID 19785864) is 2,6-dichloro-4-(trifluoromethyl)benzenediazonium.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethyl)benzenediazonium?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethyl)benzenediazonium is N#[N+]c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethyl)benzenediazonium?
The InChIKey is XDEVRHDNIRQTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2H/q+1.
What are the key properties of 2,6-dichloro-4-(trifluoromethyl)benzenediazonium?
2,6-dichloro-4-(trifluoromethyl)benzenediazonium has a molecular weight of 242.01 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(trifluoromethyl)benzenediazonium is sourced from PubChem (CID 19785864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).