2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline

C14H14FN3 — CID 170987598

IUPAC2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1/N=N/c1ccc(F)cc1
InChIInChI=1S/C14H14FN3/c1-18(2)14-6-4-3-5-13(14)17-16-12-9-7-11(15)8-10-12/h3-10H,1-2H3/b17-16+
InChIKeyUFZHWWOKARWMLP-WUKNDPDISA-N
MW243.28 g/mol
LogP4.31
Rot. Bonds3

About 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline

2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline (PubChem CID 170987598) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline
PubChem CID170987598
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1/N=N/c1ccc(F)cc1
InChIInChI=1S/C14H14FN3/c1-18(2)14-6-4-3-5-13(14)17-16-12-9-7-11(15)8-10-12/h3-10H,1-2H3/b17-16+
InChIKeyUFZHWWOKARWMLP-WUKNDPDISA-N
XLogP4.31
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline (CID 170987598) is 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline is CN(C)c1ccccc1/N=N/c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline?
The InChIKey is UFZHWWOKARWMLP-WUKNDPDISA-N. The full InChI is InChI=1S/C14H14FN3/c1-18(2)14-6-4-3-5-13(14)17-16-12-9-7-11(15)8-10-12/h3-10H,1-2H3/b17-16+.
What are the key properties of 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline?
2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline has a molecular weight of 243.28 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 170987598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).