4-fluoro-3-(trifluoromethyl)benzenediazonium

C7H3F4N2+ — CID 57283257

IUPAC4-fluoro-3-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C7H3F4N2/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1
InChIKeySVLTUNIJZXSIBS-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.33
Rot. Bonds

About 4-fluoro-3-(trifluoromethyl)benzenediazonium

4-fluoro-3-(trifluoromethyl)benzenediazonium (PubChem CID 57283257) has the molecular formula C7H3F4N2+ and a molecular weight of 191.11 g/mol. Its IUPAC name is 4-fluoro-3-(trifluoromethyl)benzenediazonium.

Molecular Properties

Compound Name4-fluoro-3-(trifluoromethyl)benzenediazonium
PubChem CID57283257
Molecular FormulaC7H3F4N2+
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name4-fluoro-3-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C7H3F4N2/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1
InChIKeySVLTUNIJZXSIBS-UHFFFAOYSA-N
XLogP3.33
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-(trifluoromethyl)benzenediazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(trifluoromethyl)benzenediazonium?
The IUPAC name of 4-fluoro-3-(trifluoromethyl)benzenediazonium (CID 57283257) is 4-fluoro-3-(trifluoromethyl)benzenediazonium.
What is the SMILES notation for 4-fluoro-3-(trifluoromethyl)benzenediazonium?
The canonical SMILES for 4-fluoro-3-(trifluoromethyl)benzenediazonium is N#[N+]c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-3-(trifluoromethyl)benzenediazonium?
The InChIKey is SVLTUNIJZXSIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4N2/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1.
What are the key properties of 4-fluoro-3-(trifluoromethyl)benzenediazonium?
4-fluoro-3-(trifluoromethyl)benzenediazonium has a molecular weight of 191.11 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(trifluoromethyl)benzenediazonium is sourced from PubChem (CID 57283257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).