3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline

C12H4F7N3 — CID 23235310

IUPAC3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline
SMILESNc1c(F)cc(F)c(F)c1/N=N/c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H4F7N3/c13-3-1-4(14)8(18)11(7(3)17)21-22-12-9(19)5(15)2-6(16)10(12)20/h1-2H,20H2/b22-21+
InChIKeyINIHHJMPQAJZPQ-QURGRASLSA-N
MW323.17 g/mol
LogP4.66
Rot. Bonds2

About 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline

3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline (PubChem CID 23235310) has the molecular formula C12H4F7N3 and a molecular weight of 323.17 g/mol. Its IUPAC name is 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline.

Molecular Properties

Compound Name3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline
PubChem CID23235310
Molecular FormulaC12H4F7N3
Molecular Weight323.17 g/mol
Exact Mass323.03
IUPAC Name3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline
SMILESNc1c(F)cc(F)c(F)c1/N=N/c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H4F7N3/c13-3-1-4(14)8(18)11(7(3)17)21-22-12-9(19)5(15)2-6(16)10(12)20/h1-2H,20H2/b22-21+
InChIKeyINIHHJMPQAJZPQ-QURGRASLSA-N
XLogP4.66
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline 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 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline?
The IUPAC name of 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline (CID 23235310) is 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline.
What is the SMILES notation for 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline?
The canonical SMILES for 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline is Nc1c(F)cc(F)c(F)c1/N=N/c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline?
The InChIKey is INIHHJMPQAJZPQ-QURGRASLSA-N. The full InChI is InChI=1S/C12H4F7N3/c13-3-1-4(14)8(18)11(7(3)17)21-22-12-9(19)5(15)2-6(16)10(12)20/h1-2H,20H2/b22-21+.
What are the key properties of 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline?
3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline has a molecular weight of 323.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trifluoro-2-[(2,3,5,6-tetrafluorophenyl)diazenyl]aniline is sourced from PubChem (CID 23235310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).