(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene

C13H8F3IN2 — CID 125475798

IUPAC(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(I)cc2)cc1
InChIInChI=1S/C13H8F3IN2/c14-13(15,16)9-1-5-11(6-2-9)18-19-12-7-3-10(17)4-8-12/h1-8H/b19-18+
InChIKeyHEHOGCAUQISIHM-VHEBQXMUSA-N
MW376.12 g/mol
LogP5.73
Rot. Bonds2

About (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene

(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene (PubChem CID 125475798) has the molecular formula C13H8F3IN2 and a molecular weight of 376.12 g/mol. Its IUPAC name is (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Name(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene
PubChem CID125475798
Molecular FormulaC13H8F3IN2
Molecular Weight376.12 g/mol
Exact Mass375.97
IUPAC Name(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(I)cc2)cc1
InChIInChI=1S/C13H8F3IN2/c14-13(15,16)9-1-5-11(6-2-9)18-19-12-7-3-10(17)4-8-12/h1-8H/b19-18+
InChIKeyHEHOGCAUQISIHM-VHEBQXMUSA-N
XLogP5.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.12
LogP ≤ 55.73
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-iodophenyl)diazene
CID 3544718
4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
CID 129101740
(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 86246481
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 134216743
[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
CID 142659934
1-boryl-4-((4-(trifluoromethyl)phenyl)diazenyl)-1h-1,2,3-triazole
CID 175647274
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
12-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenoxy]dodecane-1-thiol
CID 101110834
2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline
CID 123575923
1-iodo-4-propan-2-ylbenzene;trifluoromethylbenzene
CID 174465530
N,N-dimethyl-4-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 88874798

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene (CID 125475798) is (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1ccc(/N=N/c2ccc(I)cc2)cc1.
What is the InChIKey of (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is HEHOGCAUQISIHM-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H8F3IN2/c14-13(15,16)9-1-5-11(6-2-9)18-19-12-7-3-10(17)4-8-12/h1-8H/b19-18+.
What are the key properties of (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene?
(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 376.12 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 125475798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).