2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone

C22H16F2N2O2 — CID 3648431

IUPAC2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(C(=NN=Cc1ccccc1OC(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16F2N2O2/c23-22(24)28-19-14-8-7-13-18(19)15-25-26-20(16-9-3-1-4-10-16)21(27)17-11-5-2-6-12-17/h1-15,22H
InChIKeyAUCNCFVDJKKSIM-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.99
Rot. Bonds7

About 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone

2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 3648431) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID3648431
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(C(=NN=Cc1ccccc1OC(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16F2N2O2/c23-22(24)28-19-14-8-7-13-18(19)15-25-26-20(16-9-3-1-4-10-16)21(27)17-11-5-2-6-12-17/h1-15,22H
InChIKeyAUCNCFVDJKKSIM-UHFFFAOYSA-N
XLogP4.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone (CID 3648431) is 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone is O=C(C(=NN=Cc1ccccc1OC(F)F)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is AUCNCFVDJKKSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c23-22(24)28-19-14-8-7-13-18(19)15-25-26-20(16-9-3-1-4-10-16)21(27)17-11-5-2-6-12-17/h1-15,22H.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone?
2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 378.38 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 3648431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).