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

C16H15F3N2 — CID 132545724

IUPACphenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
SMILESFC(F)(F)CC(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)12-15(11-13-7-3-1-4-8-13)21-20-14-9-5-2-6-10-14/h1-10,15H,11-12H2/b21-20+
InChIKeyFQQLYIPJMJYMIQ-QZQOTICOSA-N
MW292.30 g/mol
LogP5.33
Rot. Bonds5

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

phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene (PubChem CID 132545724) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene.

Molecular Properties

Compound Namephenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
PubChem CID132545724
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Namephenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
SMILESFC(F)(F)CC(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)12-15(11-13-7-3-1-4-8-13)21-20-14-9-5-2-6-10-14/h1-10,15H,11-12H2/b21-20+
InChIKeyFQQLYIPJMJYMIQ-QZQOTICOSA-N
XLogP5.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.30
LogP ≤ 55.33
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

[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
CID 173350029
2-benzyl-4,4,4-trifluorobutan-1-ol
CID 121208196
(2S)-3-phenyl-1-N-(3,3,3-trifluoropropyl)propane-1,2-diamine
CID 112736688
tert-butyl(1-phenylbutan-2-yl)diazene
CID 54519373
(1R)-1-fluoro-2-phenylethanol
CID 163366132
[(2R)-2-fluoro-2-iodoethyl]benzene
CID 124672761
1,1,1-trifluoro-3-phenylpropane-2-thiol
CID 71774417
[3,3,3-trifluoro-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 71651377
2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 57015756
1,3-diphenylpropan-2-ylsilane
CID 123615026
(2-ethyl-3,3-difluoropentyl)benzene
CID 171834492
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717

Frequently Asked Questions

What is the IUPAC name of phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene?
The IUPAC name of phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene (CID 132545724) is phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene.
What is the SMILES notation for phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene?
The canonical SMILES for phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene is FC(F)(F)CC(Cc1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene?
The InChIKey is FQQLYIPJMJYMIQ-QZQOTICOSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)12-15(11-13-7-3-1-4-8-13)21-20-14-9-5-2-6-10-14/h1-10,15H,11-12H2/b21-20+.
What are the key properties of phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene?
phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene has a molecular weight of 292.30 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene is sourced from PubChem (CID 132545724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).