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

C11H12FNO3 — CID 56601405

IUPACethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-3-16-11(14)10(13-15-2)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3/b13-10-
InChIKeyIHIKHZVFRWSKRD-RAXLEYEMSA-N
MW225.22 g/mol
LogP1.74
Rot. Bonds4

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

ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate (PubChem CID 56601405) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
PubChem CID56601405
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Nameethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-3-16-11(14)10(13-15-2)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3/b13-10-
InChIKeyIHIKHZVFRWSKRD-RAXLEYEMSA-N
XLogP1.74
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

Benzeneacetic acid, 4-fluoro-, ethyl ester
CID 3013910
Ethyl 2-(2-fluorophenyl)acetate
CID 7578179
2-(Hydroxyimino)-3-(4-flurophenyl)propanoic acid
CID 127046270
5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CID 2740931
3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-one
CID 53425269
(Z)-ethyl 4-(hydroxyimino)-3-phenylpentanoate
CID 5914219
methyl (2E)-2-methoxyimino-2-[2-[(1E,3E)-4-[2-(trifluoromethyl)phenyl]buta-1,3-dienyl]phenyl]acetate
CID 44368851
(R)-Fluorophenylacetic acid ethyl ester
CID 24821994
Ethyl 2-fluoro-2-phenylacetate
CID 10866965
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
Ethyl 2-fluoro-2-(2-fluorophenyl)acetate
CID 79366515
Ethyl 2-fluoro-2-(4-fluorophenyl)acetate
CID 79367432

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate (CID 56601405) is ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate is CCOC(=O)/C(=N\OC)c1ccc(F)cc1.
What is the InChIKey of ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate?
The InChIKey is IHIKHZVFRWSKRD-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-3-16-11(14)10(13-15-2)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3/b13-10-.
What are the key properties of ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate?
ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate has a molecular weight of 225.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate is sourced from PubChem (CID 56601405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).