phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene

C14H11F3N2 — CID 134949761

IUPACphenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene
SMILESFC(F)(F)Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)10-11-6-8-13(9-7-11)19-18-12-4-2-1-3-5-12/h1-9H,10H2/b19-18+
InChIKeyJSBYYWHYUVQMLR-VHEBQXMUSA-N
MW264.25 g/mol
LogP5.21
Rot. Bonds3

About phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene

phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene (PubChem CID 134949761) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene.

Molecular Properties

Compound Namephenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene
PubChem CID134949761
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Namephenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene
SMILESFC(F)(F)Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)10-11-6-8-13(9-7-11)19-18-12-4-2-1-3-5-12/h1-9H,10H2/b19-18+
InChIKeyJSBYYWHYUVQMLR-VHEBQXMUSA-N
XLogP5.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.25
LogP ≤ 55.21
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 phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene?
The IUPAC name of phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene (CID 134949761) is phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene.
What is the SMILES notation for phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene?
The canonical SMILES for phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene is FC(F)(F)Cc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene?
The InChIKey is JSBYYWHYUVQMLR-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)10-11-6-8-13(9-7-11)19-18-12-4-2-1-3-5-12/h1-9H,10H2/b19-18+.
What are the key properties of phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene?
phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene has a molecular weight of 264.25 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2,2,2-trifluoroethyl)phenyl]diazene is sourced from PubChem (CID 134949761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).