2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol

C15H12Br2F2N2O — CID 137248796

IUPAC2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCC(F)(F)c1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C15H12Br2F2N2O/c1-15(18,19)10-2-4-12(5-3-10)21-20-8-9-6-11(16)7-13(17)14(9)22/h2-8,21-22H,1H3/b20-8+
InChIKeyWZBZVODOZVOJMH-DNTJNYDQSA-N
MW434.08 g/mol
LogP5.47
Rot. Bonds4

About 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol

2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 137248796) has the molecular formula C15H12Br2F2N2O and a molecular weight of 434.08 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID137248796
Molecular FormulaC15H12Br2F2N2O
Molecular Weight434.08 g/mol
Exact Mass431.93
IUPAC Name2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCC(F)(F)c1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C15H12Br2F2N2O/c1-15(18,19)10-2-4-12(5-3-10)21-20-8-9-6-11(16)7-13(17)14(9)22/h2-8,21-22H,1H3/b20-8+
InChIKeyWZBZVODOZVOJMH-DNTJNYDQSA-N
XLogP5.47
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.08
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
2,4-dibromo-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137129344
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
2-(4-tert-butylphenoxy)-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 4235876
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide
CID 137362061
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
CID 136577523
4-[(2E)-2-[(5-bromo-2-hydroxy-3-iodophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 135614343
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(4-methylanilino)butanamide
CID 135478331

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol (CID 137248796) is 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol is CC(F)(F)c1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is WZBZVODOZVOJMH-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H12Br2F2N2O/c1-15(18,19)10-2-4-12(5-3-10)21-20-8-9-6-11(16)7-13(17)14(9)22/h2-8,21-22H,1H3/b20-8+.
What are the key properties of 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 434.08 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137248796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).