methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate

C20H19F3N2O5 — CID 24756593

IUPACmethyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O5/c1-13(14-8-6-9-16(11-14)30-20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
InChIKeyVAERKQUVZUCZKT-TVJDWZFNSA-N
MW424.38 g/mol
LogP4.05
Rot. Bonds8

About methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate

methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate (PubChem CID 24756593) has the molecular formula C20H19F3N2O5 and a molecular weight of 424.38 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
PubChem CID24756593
Molecular FormulaC20H19F3N2O5
Molecular Weight424.38 g/mol
Exact Mass424.12
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O5/c1-13(14-8-6-9-16(11-14)30-20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
InChIKeyVAERKQUVZUCZKT-TVJDWZFNSA-N
XLogP4.05
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate with MolForge

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Related Compounds

Kresoxim-Methyl
CID 6112114
Kresoxym-methyl
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(alphaE)-alpha-(Methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetic Acid
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6-methoxy-3,4-dihydro-1(2H)-naphthalenone O-(2-fluorobenzoyl)oxime
CID 5344850
(4Z)-4-[4-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
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(4Z)-4-[4-[(E)-1-(3-methoxy-4-methylphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46216832
(4Z)-4-[4-[(E)-1-(4-fluoro-3-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46229903
methyl (2E)-2-[2-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 137660764
methyl (2E)-2-methoxyimino-2-[2-[[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenoxy]methyl]phenyl]acetate
CID 137640936
alpha-(Methoxyimino)-2-{(2-methylphenoxy)methyl}-benzeneacetic acid (E)-methyl ester
CID 86438
(E)-ethyl 6-methoxy-1-(methoxyimino)-3-phenyl-1H-indene-2-carboxylate
CID 44443517

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate (CID 24756593) is methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is CO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate?
The InChIKey is VAERKQUVZUCZKT-TVJDWZFNSA-N. The full InChI is InChI=1S/C20H19F3N2O5/c1-13(14-8-6-9-16(11-14)30-20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+.
What are the key properties of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate?
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate has a molecular weight of 424.38 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetate is sourced from PubChem (CID 24756593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).