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

C8H4Cl2F3N2+ — CID 57014746

IUPAC2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium
SMILESN#[N+]c1c(Cl)cc(CC(F)(F)F)cc1Cl
InChIInChI=1S/C8H4Cl2F3N2/c9-5-1-4(3-8(11,12)13)2-6(10)7(5)15-14/h1-2H,3H2/q+1
InChIKeyASSCHTKIFKYNKC-UHFFFAOYSA-N
MW256.03 g/mol
LogP4.58
Rot. Bonds1

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

2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium (PubChem CID 57014746) has the molecular formula C8H4Cl2F3N2+ and a molecular weight of 256.03 g/mol. Its IUPAC name is 2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium.

Molecular Properties

Compound Name2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium
PubChem CID57014746
Molecular FormulaC8H4Cl2F3N2+
Molecular Weight256.03 g/mol
Exact Mass254.97
IUPAC Name2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium
SMILESN#[N+]c1c(Cl)cc(CC(F)(F)F)cc1Cl
InChIInChI=1S/C8H4Cl2F3N2/c9-5-1-4(3-8(11,12)13)2-6(10)7(5)15-14/h1-2H,3H2/q+1
InChIKeyASSCHTKIFKYNKC-UHFFFAOYSA-N
XLogP4.58
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.03
LogP ≤ 54.58
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-(2,2,2-trifluoroethyl)benzenediazonium?
The IUPAC name of 2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium (CID 57014746) is 2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium.
What is the SMILES notation for 2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium?
The canonical SMILES for 2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium is N#[N+]c1c(Cl)cc(CC(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium?
The InChIKey is ASSCHTKIFKYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F3N2/c9-5-1-4(3-8(11,12)13)2-6(10)7(5)15-14/h1-2H,3H2/q+1.
What are the key properties of 2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium?
2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium has a molecular weight of 256.03 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2,2,2-trifluoroethyl)benzenediazonium is sourced from PubChem (CID 57014746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).