bis[4-chloro-2-(trifluoromethyl)phenyl]diazene

C14H6Cl2F6N2 — CID 11176672

IUPACbis[4-chloro-2-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H6Cl2F6N2/c15-7-1-3-11(9(5-7)13(17,18)19)23-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H/b24-23+
InChIKeyJUSZRYYWNUACNC-WCWDXBQESA-N
MW387.11 g/mol
LogP7.45
Rot. Bonds2

About bis[4-chloro-2-(trifluoromethyl)phenyl]diazene

bis[4-chloro-2-(trifluoromethyl)phenyl]diazene (PubChem CID 11176672) has the molecular formula C14H6Cl2F6N2 and a molecular weight of 387.11 g/mol. Its IUPAC name is bis[4-chloro-2-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Namebis[4-chloro-2-(trifluoromethyl)phenyl]diazene
PubChem CID11176672
Molecular FormulaC14H6Cl2F6N2
Molecular Weight387.11 g/mol
Exact Mass385.98
IUPAC Namebis[4-chloro-2-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H6Cl2F6N2/c15-7-1-3-11(9(5-7)13(17,18)19)23-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H/b24-23+
InChIKeyJUSZRYYWNUACNC-WCWDXBQESA-N
XLogP7.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.11
LogP ≤ 57.45
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'}

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Related Compounds

Benzenamine, 4-chloro-2-(trifluoromethyl)-
CID 67961
4-chloro-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]azo]-3-(trifluoromethyl)aniline
CID 10549082
Fast Red TR
CID 93110
4-chloro-N-[(E)-[4-chloro-2-(trifluoromethyl)phenyl]azo]-2-(trifluoromethyl)aniline
CID 53329440
Fast red TR salt hemi(zinc chloride)
CID 16212368
Bis(5-chloro-2-methylphenyl)diazene
CID 211081
4-Chloro-2-(trifluoromethyl)phenyl isothiocyanate
CID 2736689
4-Chloro-2-methylbenzene-1-diazonium chloride
CID 12830371
5,5'-Dichloro-[1,1'-biphenyl]-2,2'-diamine
CID 21332682
4-Chloro-2-(1-phenylethenyl)aniline
CID 11107143
4-Chloro-1-isocyano-2-methylbenzene
CID 15445883
5-Chloro-4'-fluorobiphenyl-2-amine
CID 58482988

Frequently Asked Questions

What is the IUPAC name of bis[4-chloro-2-(trifluoromethyl)phenyl]diazene?
The IUPAC name of bis[4-chloro-2-(trifluoromethyl)phenyl]diazene (CID 11176672) is bis[4-chloro-2-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for bis[4-chloro-2-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for bis[4-chloro-2-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of bis[4-chloro-2-(trifluoromethyl)phenyl]diazene?
The InChIKey is JUSZRYYWNUACNC-WCWDXBQESA-N. The full InChI is InChI=1S/C14H6Cl2F6N2/c15-7-1-3-11(9(5-7)13(17,18)19)23-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H/b24-23+.
What are the key properties of bis[4-chloro-2-(trifluoromethyl)phenyl]diazene?
bis[4-chloro-2-(trifluoromethyl)phenyl]diazene has a molecular weight of 387.11 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-chloro-2-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 11176672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).