methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate

C18H16F3NO4 — CID 6520923

IUPACmethyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3NO4/c1-24-17(23)16(22-25-2)13-8-4-3-7-12(13)11-26-15-10-6-5-9-14(15)18(19,20)21/h3-10H,11H2,1-2H3/b22-16+
InChIKeyBMHRZODGWOUWQK-CJLVFECKSA-N
MW367.32 g/mol
LogP3.81
Rot. Bonds6

About methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate

methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate (PubChem CID 6520923) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
PubChem CID6520923
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3NO4/c1-24-17(23)16(22-25-2)13-8-4-3-7-12(13)11-26-15-10-6-5-9-14(15)18(19,20)21/h3-10H,11H2,1-2H3/b22-16+
InChIKeyBMHRZODGWOUWQK-CJLVFECKSA-N
XLogP3.81
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate (CID 6520923) is methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate is CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C(F)(F)F.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate?
The InChIKey is BMHRZODGWOUWQK-CJLVFECKSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-24-17(23)16(22-25-2)13-8-4-3-7-12(13)11-26-15-10-6-5-9-14(15)18(19,20)21/h3-10H,11H2,1-2H3/b22-16+.
What are the key properties of methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate?
methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate has a molecular weight of 367.32 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetate is sourced from PubChem (CID 6520923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).