(Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine

C21H13F4N3O6 — CID 70689632

IUPAC(Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1/C=N\OCc1ccccc1F
InChIInChI=1S/C21H13F4N3O6/c22-16-7-3-1-6-14(16)12-33-26-11-13-5-2-4-8-19(13)34-20-17(27(29)30)9-15(21(23,24)25)10-18(20)28(31)32/h1-11H,12H2/b26-11-
InChIKeyODWKZKFZDMKBMD-RAWMCFOBSA-N
MW479.34 g/mol
LogP6.00
Rot. Bonds8

About (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine

(Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine (PubChem CID 70689632) has the molecular formula C21H13F4N3O6 and a molecular weight of 479.34 g/mol. Its IUPAC name is (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine
PubChem CID70689632
Molecular FormulaC21H13F4N3O6
Molecular Weight479.34 g/mol
Exact Mass479.07
IUPAC Name(Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1/C=N\OCc1ccccc1F
InChIInChI=1S/C21H13F4N3O6/c22-16-7-3-1-6-14(16)12-33-26-11-13-5-2-4-8-19(13)34-20-17(27(29)30)9-15(21(23,24)25)10-18(20)28(31)32/h1-11H,12H2/b26-11-
InChIKeyODWKZKFZDMKBMD-RAWMCFOBSA-N
XLogP6.00
TPSA117.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.34
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine (CID 70689632) is (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine is O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1/C=N\OCc1ccccc1F.
What is the InChIKey of (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine?
The InChIKey is ODWKZKFZDMKBMD-RAWMCFOBSA-N. The full InChI is InChI=1S/C21H13F4N3O6/c22-16-7-3-1-6-14(16)12-33-26-11-13-5-2-4-8-19(13)34-20-17(27(29)30)9-15(21(23,24)25)10-18(20)28(31)32/h1-11H,12H2/b26-11-.
What are the key properties of (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine?
(Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine has a molecular weight of 479.34 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine is sourced from PubChem (CID 70689632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).