methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate

C17H14F3NO4 — CID 15416042

IUPACmethyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate
SMILESCO/N=C(\C(=O)OC)c1ccccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO4/c1-23-16(22)15(21-24-2)13-8-3-4-9-14(13)25-12-7-5-6-11(10-12)17(18,19)20/h3-10H,1-2H3/b21-15-
InChIKeyWQNUNICVKUMLPH-QNGOZBTKSA-N
MW353.30 g/mol
LogP4.02
Rot. Bonds5

About methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate

methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate (PubChem CID 15416042) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate
PubChem CID15416042
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Namemethyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate
SMILESCO/N=C(\C(=O)OC)c1ccccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO4/c1-23-16(22)15(21-24-2)13-8-3-4-9-14(13)25-12-7-5-6-11(10-12)17(18,19)20/h3-10H,1-2H3/b21-15-
InChIKeyWQNUNICVKUMLPH-QNGOZBTKSA-N
XLogP4.02
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.02
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 (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate?
The IUPAC name of methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate (CID 15416042) is methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate.
What is the SMILES notation for methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate?
The canonical SMILES for methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate is CO/N=C(\C(=O)OC)c1ccccc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate?
The InChIKey is WQNUNICVKUMLPH-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H14F3NO4/c1-23-16(22)15(21-24-2)13-8-3-4-9-14(13)25-12-7-5-6-11(10-12)17(18,19)20/h3-10H,1-2H3/b21-15-.
What are the key properties of methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate?
methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate has a molecular weight of 353.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate is sourced from PubChem (CID 15416042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).