4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline

C12H9F2N3 — CID 101380460

IUPAC4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
SMILESFc1ccc(/[15N]=N/[15NH]c2ccc(F)cc2)cc1
InChIInChI=1S/C12H9F2N3/c13-9-1-5-11(6-2-9)15-17-16-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)/i15+1,16+1
InChIKeyGNEKNSRYMHHYHI-IIJSWMDNSA-N
MW235.21 g/mol
LogP4.08
Rot. Bonds3

About 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline

4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline (PubChem CID 101380460) has the molecular formula C12H9F2N3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
PubChem CID101380460
Molecular FormulaC12H9F2N3
Molecular Weight235.21 g/mol
Exact Mass235.07
IUPAC Name4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
SMILESFc1ccc(/[15N]=N/[15NH]c2ccc(F)cc2)cc1
InChIInChI=1S/C12H9F2N3/c13-9-1-5-11(6-2-9)15-17-16-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)/i15+1,16+1
InChIKeyGNEKNSRYMHHYHI-IIJSWMDNSA-N
XLogP4.08
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline
CID 2853312
N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide
CID 176870941
(4-bromophenyl)-(4-fluorophenyl)diazene
CID 71365976
4-[[3-[2-(4-fluorophenyl)ethynyl]anilino]diazenyl]benzenecarboximidamide
CID 118687525
2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol
CID 136723444
N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline
CID 86015373
N,N'-bis(4-fluorophenyl)methanimidamide
CID 101435045
(4-fluorophenyl)hydrazine;hydrate
CID 19886243
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;bis(piperidine);platinum(2+);dihydrochloride
CID 24901072
1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
CID 4105169
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
N-[(2-phenyldiazenylphenyl)diazenyl]aniline
CID 71340001

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline?
The IUPAC name of 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline (CID 101380460) is 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline.
What is the SMILES notation for 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline?
The canonical SMILES for 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline is Fc1ccc(/[15N]=N/[15NH]c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline?
The InChIKey is GNEKNSRYMHHYHI-IIJSWMDNSA-N. The full InChI is InChI=1S/C12H9F2N3/c13-9-1-5-11(6-2-9)15-17-16-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)/i15+1,16+1.
What are the key properties of 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline?
4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline has a molecular weight of 235.21 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline is sourced from PubChem (CID 101380460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).