(E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine

C20H18F6N2O2 — CID 166944621

IUPAC(E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine
SMILESCO/N=C(/C)c1cccc(C)c1CO/N=C/c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C20H18F6N2O2/c1-12-5-4-6-16(13(2)28-29-3)17(12)11-30-27-10-14-7-8-15(19(21,22)23)9-18(14)20(24,25)26/h4-10H,11H2,1-3H3/b27-10+,28-13-
InChIKeyMYMYTGXWCRWENF-HBSKZWQRSA-N
MW432.36 g/mol
LogP5.95
Rot. Bonds6

About (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine

(E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine (PubChem CID 166944621) has the molecular formula C20H18F6N2O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine
PubChem CID166944621
Molecular FormulaC20H18F6N2O2
Molecular Weight432.36 g/mol
Exact Mass432.13
IUPAC Name(E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine
SMILESCO/N=C(/C)c1cccc(C)c1CO/N=C/c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C20H18F6N2O2/c1-12-5-4-6-16(13(2)28-29-3)17(12)11-30-27-10-14-7-8-15(19(21,22)23)9-18(14)20(24,25)26/h4-10H,11H2,1-3H3/b27-10+,28-13-
InChIKeyMYMYTGXWCRWENF-HBSKZWQRSA-N
XLogP5.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.36
LogP ≤ 55.95
H-Bond Donors ≤ 50
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'}

Analyze (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine 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 (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine (CID 166944621) is (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine is CO/N=C(/C)c1cccc(C)c1CO/N=C/c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine?
The InChIKey is MYMYTGXWCRWENF-HBSKZWQRSA-N. The full InChI is InChI=1S/C20H18F6N2O2/c1-12-5-4-6-16(13(2)28-29-3)17(12)11-30-27-10-14-7-8-15(19(21,22)23)9-18(14)20(24,25)26/h4-10H,11H2,1-3H3/b27-10+,28-13-.
What are the key properties of (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine?
(E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine has a molecular weight of 432.36 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-[[(E)-[2,4-bis(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine is sourced from PubChem (CID 166944621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).