3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one

C16H10F2N2O2 — CID 155919966

IUPAC3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one
SMILESO=c1c(/C=N/Nc2cc(F)ccc2F)coc2ccccc12
InChIInChI=1S/C16H10F2N2O2/c17-11-5-6-13(18)14(7-11)20-19-8-10-9-22-15-4-2-1-3-12(15)16(10)21/h1-9,20H/b19-8+
InChIKeyWFRCEMZAZUXQGA-UFWORHAWSA-N
MW300.26 g/mol
LogP3.52
Rot. Bonds3

About 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one

3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one (PubChem CID 155919966) has the molecular formula C16H10F2N2O2 and a molecular weight of 300.26 g/mol. Its IUPAC name is 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one.

Molecular Properties

Compound Name3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one
PubChem CID155919966
Molecular FormulaC16H10F2N2O2
Molecular Weight300.26 g/mol
Exact Mass300.07
IUPAC Name3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one
SMILESO=c1c(/C=N/Nc2cc(F)ccc2F)coc2ccccc12
InChIInChI=1S/C16H10F2N2O2/c17-11-5-6-13(18)14(7-11)20-19-8-10-9-22-15-4-2-1-3-12(15)16(10)21/h1-9,20H/b19-8+
InChIKeyWFRCEMZAZUXQGA-UFWORHAWSA-N
XLogP3.52
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one?
The IUPAC name of 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one (CID 155919966) is 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one.
What is the SMILES notation for 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one?
The canonical SMILES for 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one is O=c1c(/C=N/Nc2cc(F)ccc2F)coc2ccccc12.
What is the InChIKey of 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one?
The InChIKey is WFRCEMZAZUXQGA-UFWORHAWSA-N. The full InChI is InChI=1S/C16H10F2N2O2/c17-11-5-6-13(18)14(7-11)20-19-8-10-9-22-15-4-2-1-3-12(15)16(10)21/h1-9,20H/b19-8+.
What are the key properties of 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one?
3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one has a molecular weight of 300.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one is sourced from PubChem (CID 155919966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).