trifluoromethyl-(2,4,6-trifluorophenyl)diazene

C7H2F6N2 — CID 13219936

IUPACtrifluoromethyl-(2,4,6-trifluorophenyl)diazene
SMILESFc1cc(F)c(/N=N/C(F)(F)F)c(F)c1
InChIInChI=1S/C7H2F6N2/c8-3-1-4(9)6(5(10)2-3)14-15-7(11,12)13/h1-2H/b15-14+
InChIKeyGZBVTZOYUZLTDM-CCEZHUSRSA-N
MW228.09 g/mol
LogP3.71
Rot. Bonds1

About trifluoromethyl-(2,4,6-trifluorophenyl)diazene

trifluoromethyl-(2,4,6-trifluorophenyl)diazene (PubChem CID 13219936) has the molecular formula C7H2F6N2 and a molecular weight of 228.09 g/mol. Its IUPAC name is trifluoromethyl-(2,4,6-trifluorophenyl)diazene.

Molecular Properties

Compound Nametrifluoromethyl-(2,4,6-trifluorophenyl)diazene
PubChem CID13219936
Molecular FormulaC7H2F6N2
Molecular Weight228.09 g/mol
Exact Mass228.01
IUPAC Nametrifluoromethyl-(2,4,6-trifluorophenyl)diazene
SMILESFc1cc(F)c(/N=N/C(F)(F)F)c(F)c1
InChIInChI=1S/C7H2F6N2/c8-3-1-4(9)6(5(10)2-3)14-15-7(11,12)13/h1-2H/b15-14+
InChIKeyGZBVTZOYUZLTDM-CCEZHUSRSA-N
XLogP3.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 53.71
H-Bond Donors ≤ 50
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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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1-bromo-3,5-difluoro-2-isocyanatobenzene
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2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4,6-difluoroaniline
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2,4,6-trifluorobenzenethiol;pentahydrofluoride
CID 173024841
2,4,6-trifluorobenzenethiol;tetrahydrofluoride
CID 173125466
phosphane;1,3,5-trifluoro-2-iodobenzene
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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl-(2,4,6-trifluorophenyl)diazene?
The IUPAC name of trifluoromethyl-(2,4,6-trifluorophenyl)diazene (CID 13219936) is trifluoromethyl-(2,4,6-trifluorophenyl)diazene.
What is the SMILES notation for trifluoromethyl-(2,4,6-trifluorophenyl)diazene?
The canonical SMILES for trifluoromethyl-(2,4,6-trifluorophenyl)diazene is Fc1cc(F)c(/N=N/C(F)(F)F)c(F)c1.
What is the InChIKey of trifluoromethyl-(2,4,6-trifluorophenyl)diazene?
The InChIKey is GZBVTZOYUZLTDM-CCEZHUSRSA-N. The full InChI is InChI=1S/C7H2F6N2/c8-3-1-4(9)6(5(10)2-3)14-15-7(11,12)13/h1-2H/b15-14+.
What are the key properties of trifluoromethyl-(2,4,6-trifluorophenyl)diazene?
trifluoromethyl-(2,4,6-trifluorophenyl)diazene has a molecular weight of 228.09 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl-(2,4,6-trifluorophenyl)diazene is sourced from PubChem (CID 13219936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).