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

C14H4F10N2 — CID 11406632

IUPACbis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene
SMILESFc1cc(C(F)(F)F)cc(F)c1/N=N/c1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C14H4F10N2/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+
InChIKeyLTNQWMGBFBSMRE-OCEACIFDSA-N
MW390.18 g/mol
LogP6.70
Rot. Bonds2

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

bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene (PubChem CID 11406632) has the molecular formula C14H4F10N2 and a molecular weight of 390.18 g/mol. Its IUPAC name is bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Namebis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene
PubChem CID11406632
Molecular FormulaC14H4F10N2
Molecular Weight390.18 g/mol
Exact Mass390.02
IUPAC Namebis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene
SMILESFc1cc(C(F)(F)F)cc(F)c1/N=N/c1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C14H4F10N2/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+
InChIKeyLTNQWMGBFBSMRE-OCEACIFDSA-N
XLogP6.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.18
LogP ≤ 56.70
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[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene (CID 11406632) is bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene is Fc1cc(C(F)(F)F)cc(F)c1/N=N/c1c(F)cc(C(F)(F)F)cc1F.
What is the InChIKey of bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene?
The InChIKey is LTNQWMGBFBSMRE-OCEACIFDSA-N. The full InChI is InChI=1S/C14H4F10N2/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-difluoro-4-(trifluoromethyl)phenyl]diazene?
bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene has a molecular weight of 390.18 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 11406632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).