bis[4-(trifluoromethyl)phenyl]diazene

C14H8F6N2 — CID 15588562

IUPACbis[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H8F6N2/c15-13(16,17)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)14(18,19)20/h1-8H/b22-21+
InChIKeyCQHZRYVXUANNRW-QURGRASLSA-N
MW318.22 g/mol
LogP6.14
Rot. Bonds2

About bis[4-(trifluoromethyl)phenyl]diazene

bis[4-(trifluoromethyl)phenyl]diazene (PubChem CID 15588562) has the molecular formula C14H8F6N2 and a molecular weight of 318.22 g/mol. Its IUPAC name is bis[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Namebis[4-(trifluoromethyl)phenyl]diazene
PubChem CID15588562
Molecular FormulaC14H8F6N2
Molecular Weight318.22 g/mol
Exact Mass318.06
IUPAC Namebis[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H8F6N2/c15-13(16,17)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)14(18,19)20/h1-8H/b22-21+
InChIKeyCQHZRYVXUANNRW-QURGRASLSA-N
XLogP6.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.22
LogP ≤ 56.14
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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Frequently Asked Questions

What is the IUPAC name of bis[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of bis[4-(trifluoromethyl)phenyl]diazene (CID 15588562) is bis[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for bis[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for bis[4-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1ccc(/N=N/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of bis[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is CQHZRYVXUANNRW-QURGRASLSA-N. The full InChI is InChI=1S/C14H8F6N2/c15-13(16,17)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)14(18,19)20/h1-8H/b22-21+.
What are the key properties of bis[4-(trifluoromethyl)phenyl]diazene?
bis[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 318.22 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 15588562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).