bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene

C14H4Cl4F6N2 — CID 11396913

IUPACbis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1cc(Cl)c(/N=N/c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H4Cl4F6N2/c15-7-1-5(13(19,20)21)2-8(16)11(7)25-26-12-9(17)3-6(4-10(12)18)14(22,23)24/h1-4H/b26-25+
InChIKeyXOBHRXVCYNJKML-OCEACIFDSA-N
MW456.00 g/mol
LogP8.75
Rot. Bonds2

About bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene

bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene (PubChem CID 11396913) has the molecular formula C14H4Cl4F6N2 and a molecular weight of 456.00 g/mol. Its IUPAC name is bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Namebis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene
PubChem CID11396913
Molecular FormulaC14H4Cl4F6N2
Molecular Weight456.00 g/mol
Exact Mass453.90
IUPAC Namebis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1cc(Cl)c(/N=N/c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H4Cl4F6N2/c15-7-1-5(13(19,20)21)2-8(16)11(7)25-26-12-9(17)3-6(4-10(12)18)14(22,23)24/h1-4H/b26-25+
InChIKeyXOBHRXVCYNJKML-OCEACIFDSA-N
XLogP8.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.00
LogP ≤ 58.75
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'}

Analyze bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene with MolForge

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

Launch Full Analysis

Related Compounds

4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
Benzenamine, 4,4'-methylenebis(2,6-dichloro-
CID 117516
[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 688223
Benzidine, 3,3',5,5'-tetrachloro-
CID 148423
[1,1'-Biphenyl]-4,4'-bis(diazonium), 3,3'-dichloro-, chloride (1:2)
CID 170807
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
CID 10019496
2-Azido-1,3-dichloro-5-(trifluoromethyl)benzene
CID 19778409
(2,6-Dichloro-4-trifluoromethyl-phenylazo)-acetonitrile
CID 126508059
2,6-Dichloro-4-(trifluoromethyl)phenyl Isothiocyanate
CID 135019947
(2,4,6-Trichloro-3,5-difluorophenyl)-(2,4,6-trimethylphenyl)diazene
CID 85756709
(2,4-Dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-lambda4-sulfane
CID 134985438
Bis(2,6-dichloro-4-ethylphenyl)diazene
CID 155933221

Frequently Asked Questions

What is the IUPAC name of bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene (CID 11396913) is bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1cc(Cl)c(/N=N/c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1.
What is the InChIKey of bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene?
The InChIKey is XOBHRXVCYNJKML-OCEACIFDSA-N. The full InChI is InChI=1S/C14H4Cl4F6N2/c15-7-1-5(13(19,20)21)2-8(16)11(7)25-26-12-9(17)3-6(4-10(12)18)14(22,23)24/h1-4H/b26-25+.
What are the key properties of bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene?
bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene has a molecular weight of 456.00 g/mol, XLogP of 8.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,6-dichloro-4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 11396913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).