(4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene

C16H14BrF3N2 — CID 132545718

IUPAC(4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
SMILESFC(F)(F)CC(Cc1ccccc1)/N=N/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrF3N2/c17-13-6-8-14(9-7-13)21-22-15(11-16(18,19)20)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/b22-21+
InChIKeyWFUYPXDLKZVVIY-QURGRASLSA-N
MW371.20 g/mol
LogP6.10
Rot. Bonds5

About (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene

(4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene (PubChem CID 132545718) has the molecular formula C16H14BrF3N2 and a molecular weight of 371.20 g/mol. Its IUPAC name is (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene.

Molecular Properties

Compound Name(4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
PubChem CID132545718
Molecular FormulaC16H14BrF3N2
Molecular Weight371.20 g/mol
Exact Mass370.03
IUPAC Name(4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
SMILESFC(F)(F)CC(Cc1ccccc1)/N=N/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrF3N2/c17-13-6-8-14(9-7-13)21-22-15(11-16(18,19)20)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/b22-21+
InChIKeyWFUYPXDLKZVVIY-QURGRASLSA-N
XLogP6.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.20
LogP ≤ 56.10
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 (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene?
The IUPAC name of (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene (CID 132545718) is (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene.
What is the SMILES notation for (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene?
The canonical SMILES for (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene is FC(F)(F)CC(Cc1ccccc1)/N=N/c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene?
The InChIKey is WFUYPXDLKZVVIY-QURGRASLSA-N. The full InChI is InChI=1S/C16H14BrF3N2/c17-13-6-8-14(9-7-13)21-22-15(11-16(18,19)20)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/b22-21+.
What are the key properties of (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene?
(4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene has a molecular weight of 371.20 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene is sourced from PubChem (CID 132545718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).