3-(trifluoromethyl)benzenediazonium

C7H4F3N2+ — CID 12637887

IUPAC3-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H4F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4H/q+1
InChIKeyCZGLIAXPNCFRRC-UHFFFAOYSA-N
MW173.12 g/mol
LogP3.19
Rot. Bonds

About 3-(trifluoromethyl)benzenediazonium

3-(trifluoromethyl)benzenediazonium (PubChem CID 12637887) has the molecular formula C7H4F3N2+ and a molecular weight of 173.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)benzenediazonium.

Molecular Properties

Compound Name3-(trifluoromethyl)benzenediazonium
PubChem CID12637887
Molecular FormulaC7H4F3N2+
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name3-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H4F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4H/q+1
InChIKeyCZGLIAXPNCFRRC-UHFFFAOYSA-N
XLogP3.19
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(trifluoromethyl)benzenediazonium chloride
CID 12637886
aniline;3-(trifluoromethyl)aniline
CID 160634583
3-fluorobenzenediazonium hydroxide
CID 10057577
CID 162573398
CID 162573398
3-chloro-5-(trifluoromethyl)benzenediazonium
CID 86145286
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
sulfuric acid;3-(trifluoromethyl)aniline
CID 171926683
CID 86152769
CID 86152769
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
CID 57448987
CID 57448987
[3-(trifluoromethyl)phenyl]aluminum(2+)
CID 87243472
3-(trifluoromethyl)benzenethiolate
CID 6930699

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)benzenediazonium?
The IUPAC name of 3-(trifluoromethyl)benzenediazonium (CID 12637887) is 3-(trifluoromethyl)benzenediazonium.
What is the SMILES notation for 3-(trifluoromethyl)benzenediazonium?
The canonical SMILES for 3-(trifluoromethyl)benzenediazonium is N#[N+]c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)benzenediazonium?
The InChIKey is CZGLIAXPNCFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4H/q+1.
What are the key properties of 3-(trifluoromethyl)benzenediazonium?
3-(trifluoromethyl)benzenediazonium has a molecular weight of 173.12 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)benzenediazonium is sourced from PubChem (CID 12637887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).