ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate

C13H14FNO5 — CID 56601406

IUPACethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1ccc(F)cc1OC(C)=O
InChIInChI=1S/C13H14FNO5/c1-4-19-13(17)12(15-18-3)10-6-5-9(14)7-11(10)20-8(2)16/h5-7H,4H2,1-3H3/b15-12-
InChIKeyBNBBWMURWUCBIA-QINSGFPZSA-N
MW283.25 g/mol
LogP1.66
Rot. Bonds5

About ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate

ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate (PubChem CID 56601406) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate
PubChem CID56601406
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Nameethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1ccc(F)cc1OC(C)=O
InChIInChI=1S/C13H14FNO5/c1-4-19-13(17)12(15-18-3)10-6-5-9(14)7-11(10)20-8(2)16/h5-7H,4H2,1-3H3/b15-12-
InChIKeyBNBBWMURWUCBIA-QINSGFPZSA-N
XLogP1.66
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate (CID 56601406) is ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate is CCOC(=O)/C(=N\OC)c1ccc(F)cc1OC(C)=O.
What is the InChIKey of ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate?
The InChIKey is BNBBWMURWUCBIA-QINSGFPZSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-4-19-13(17)12(15-18-3)10-6-5-9(14)7-11(10)20-8(2)16/h5-7H,4H2,1-3H3/b15-12-.
What are the key properties of ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate?
ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate has a molecular weight of 283.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate is sourced from PubChem (CID 56601406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).