2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline

C14H9F6N3 — CID 589462

IUPAC2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline
SMILESFC(F)(F)c1ccccc1/N=N/Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F6N3/c15-13(16,17)9-5-1-3-7-11(9)21-23-22-12-8-4-2-6-10(12)14(18,19)20/h1-8H,(H,21,22)
InChIKeyLXPAEQQYXWIGNG-UHFFFAOYSA-N
MW333.24 g/mol
LogP5.84
Rot. Bonds3

About 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline

2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline (PubChem CID 589462) has the molecular formula C14H9F6N3 and a molecular weight of 333.24 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline
PubChem CID589462
Molecular FormulaC14H9F6N3
Molecular Weight333.24 g/mol
Exact Mass333.07
IUPAC Name2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline
SMILESFC(F)(F)c1ccccc1/N=N/Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F6N3/c15-13(16,17)9-5-1-3-7-11(9)21-23-22-12-8-4-2-6-10(12)14(18,19)20/h1-8H,(H,21,22)
InChIKeyLXPAEQQYXWIGNG-UHFFFAOYSA-N
XLogP5.84
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.24
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

o-Aminoazotoluene
CID 7340
2,2'-Biphenyldiamine
CID 15075
1-Methyl-3-p-tolyltriazene
CID 30492
3,4,5-Trifluoro-2'-aminobiphenyl
CID 44249263
4-Fluoro-2-(trifluoromethyl)aniline
CID 67853
(3-(Trifluoromethyl)phenyl)hydrazine
CID 98650
1-(4-Methylphenyl)-3-(phenylmethyl)-1-triazene
CID 87234
2-(Trifluoromethyl)aniline
CID 6922
2,2'-Ethylenedianiline
CID 98690
2-(Trifluoromethyl)phenylhydrazine Hydrochloride
CID 12891828
Benzenamine, 2,2'-methylenebis-
CID 81061
o-Tolylhydrazinium(1+) chloride
CID 71554

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline?
The IUPAC name of 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline (CID 589462) is 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline.
What is the SMILES notation for 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline?
The canonical SMILES for 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline is FC(F)(F)c1ccccc1/N=N/Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline?
The InChIKey is LXPAEQQYXWIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3/c15-13(16,17)9-5-1-3-7-11(9)21-23-22-12-8-4-2-6-10(12)14(18,19)20/h1-8H,(H,21,22).
What are the key properties of 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline?
2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline has a molecular weight of 333.24 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]diazenyl]aniline is sourced from PubChem (CID 589462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).