2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde

C19H17F3N2O3 — CID 86755316

IUPAC2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde
SMILESCON=C(C=O)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-13(14-7-5-8-16(10-14)19(20,21)22)23-27-12-15-6-3-4-9-17(15)18(11-25)24-26-2/h3-11H,12H2,1-2H3
InChIKeyHDILOUYGCYGKAJ-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.20
Rot. Bonds7

About 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde

2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde (PubChem CID 86755316) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde
PubChem CID86755316
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde
SMILESCON=C(C=O)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-13(14-7-5-8-16(10-14)19(20,21)22)23-27-12-15-6-3-4-9-17(15)18(11-25)24-26-2/h3-11H,12H2,1-2H3
InChIKeyHDILOUYGCYGKAJ-UHFFFAOYSA-N
XLogP4.20
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Trifloxystrobin
CID 11664966
Methyl (2E)-(methoxyimino)(2-((((Z)-(1-(3-(trifluoromethyl)phenyl)ethylidene)amino)oxy)methyl)phenyl)acetate
CID 5493321
(2E)-2-[[2-[(E)-C-carboxy-N-methoxycarbonimidoyl]phenyl]methoxyimino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 139594939
(2Z)-2-[[2-[(E)-C-carboxy-N-methoxycarbonimidoyl]phenyl]methoxyimino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 162396683
(2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid
CID 22899348
Methyl (2Z)-(methoxyimino)(2-((((E)-(1-(3-(trifluoromethyl)phenyl)ethylidene)amino)oxy)methyl)phenyl)acetate
CID 9578570
(2Z)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid
CID 99719160
methyl (2E)-2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
CID 141391089
Methyl (methoxyimino)(2-((((1-(3-(trifluoromethyl)phenyl)ethylidene)amino)oxy)methyl)phenyl)acetate
CID 213016
trifloxystrobin TP3
CID 21989277
Methyl (2Z)-(methoxyimino)(2-((((Z)-(1-(3-(trifluoromethyl)phenyl)ethylidene)amino)oxy)methyl)phenyl)acetate
CID 53627428
methyl (2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 24970806

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde?
The IUPAC name of 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde (CID 86755316) is 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde.
What is the SMILES notation for 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde?
The canonical SMILES for 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde is CON=C(C=O)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde?
The InChIKey is HDILOUYGCYGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-13(14-7-5-8-16(10-14)19(20,21)22)23-27-12-15-6-3-4-9-17(15)18(11-25)24-26-2/h3-11H,12H2,1-2H3.
What are the key properties of 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde?
2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde has a molecular weight of 378.35 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetaldehyde is sourced from PubChem (CID 86755316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).