ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate

C11H12FNO3 — CID 135364729

IUPACethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate
SMILESCCOC(=O)/C(Cc1ccccc1F)=N\O
InChIInChI=1S/C11H12FNO3/c1-2-16-11(14)10(13-15)7-8-5-3-4-6-9(8)12/h3-6,15H,2,7H2,1H3/b13-10-
InChIKeyYJIGKZBJSPJMQT-RAXLEYEMSA-N
MW225.22 g/mol
LogP1.76
Rot. Bonds4

About ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate

ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate (PubChem CID 135364729) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate.

Molecular Properties

Compound Nameethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate
PubChem CID135364729
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Nameethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate
SMILESCCOC(=O)/C(Cc1ccccc1F)=N\O
InChIInChI=1S/C11H12FNO3/c1-2-16-11(14)10(13-15)7-8-5-3-4-6-9(8)12/h3-6,15H,2,7H2,1H3/b13-10-
InChIKeyYJIGKZBJSPJMQT-RAXLEYEMSA-N
XLogP1.76
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate?
The IUPAC name of ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate (CID 135364729) is ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate.
What is the SMILES notation for ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate?
The canonical SMILES for ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate is CCOC(=O)/C(Cc1ccccc1F)=N\O.
What is the InChIKey of ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate?
The InChIKey is YJIGKZBJSPJMQT-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-2-16-11(14)10(13-15)7-8-5-3-4-6-9(8)12/h3-6,15H,2,7H2,1H3/b13-10-.
What are the key properties of ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate?
ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate has a molecular weight of 225.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-3-(2-fluorophenyl)-2-hydroxyiminopropanoate is sourced from PubChem (CID 135364729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).