[5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone

C25H16F2N2O — CID 102106572

IUPAC[5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(F)ccc1-c1ccccc1/N=N/c1ccc(F)cc1
InChIInChI=1S/C25H16F2N2O/c26-18-10-13-20(14-11-18)28-29-24-9-5-4-8-22(24)21-15-12-19(27)16-23(21)25(30)17-6-2-1-3-7-17/h1-16H/b29-28+
InChIKeyXAXVDGQSFRNFSL-ZQHSETAFSA-N
MW398.41 g/mol
LogP7.28
Rot. Bonds5

About [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone

[5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone (PubChem CID 102106572) has the molecular formula C25H16F2N2O and a molecular weight of 398.41 g/mol. Its IUPAC name is [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone
PubChem CID102106572
Molecular FormulaC25H16F2N2O
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Name[5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(F)ccc1-c1ccccc1/N=N/c1ccc(F)cc1
InChIInChI=1S/C25H16F2N2O/c26-18-10-13-20(14-11-18)28-29-24-9-5-4-8-22(24)21-15-12-19(27)16-23(21)25(30)17-6-2-1-3-7-17/h1-16H/b29-28+
InChIKeyXAXVDGQSFRNFSL-ZQHSETAFSA-N
XLogP7.28
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 57.28
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 [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone?
The IUPAC name of [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone (CID 102106572) is [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(F)ccc1-c1ccccc1/N=N/c1ccc(F)cc1.
What is the InChIKey of [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone?
The InChIKey is XAXVDGQSFRNFSL-ZQHSETAFSA-N. The full InChI is InChI=1S/C25H16F2N2O/c26-18-10-13-20(14-11-18)28-29-24-9-5-4-8-22(24)21-15-12-19(27)16-23(21)25(30)17-6-2-1-3-7-17/h1-16H/b29-28+.
What are the key properties of [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone?
[5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone has a molecular weight of 398.41 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[2-[(4-fluorophenyl)diazenyl]phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 102106572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).