ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate

C10H9BrFNO3 — CID 72646456

IUPACethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate
SMILESCCOC(=O)C(=NO)c1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFNO3/c1-2-16-10(14)9(13-15)7-4-3-6(11)5-8(7)12/h3-5,15H,2H2,1H3
InChIKeyAPGYBWDSOGJCGH-UHFFFAOYSA-N
MW290.09 g/mol
LogP2.33
Rot. Bonds3

About ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate

ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate (PubChem CID 72646456) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate
PubChem CID72646456
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Nameethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate
SMILESCCOC(=O)C(=NO)c1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFNO3/c1-2-16-10(14)9(13-15)7-4-3-6(11)5-8(7)12/h3-5,15H,2H2,1H3
InChIKeyAPGYBWDSOGJCGH-UHFFFAOYSA-N
XLogP2.33
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 52.33
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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Related Compounds

Ethyl 2-(4-bromo-3-fluorophenyl)acetate
CID 71757032
Ethyl 2-(4-bromophenyl)-2-fluoroacetate
CID 105514100
Methyl 4-bromo-3-fluorobenzeneacetate
CID 71265948
2-(4-Bromophenyl)-2-diazonio-1-ethoxyethen-1-olate
CID 53401259
Methyl 2-(4-bromophenyl)-2-diazoacetate
CID 72978800
Methyl (4-bromo-2-fluorophenyl)acetate
CID 53429406
ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
CID 56601405
2,2,2-Trifluoroethyl 2-(4-bromophenyl)-2-diazoacetate
CID 137253372
ethyl 2-[3-bromo-4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2,2-difluoroacetate
CID 162399144
Ethyl 3-[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2,2-difluoropropanoate
CID 162417698
propan-2-yl (2Z)-2-(5-bromo-2-fluorophenyl)-2-[(S)-tert-butylsulfinyl]iminoacetate
CID 164682729
Methyl 2-(3-bromo-4-fluorophenyl)-2-diazoacetate
CID 176522392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate?
The IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate (CID 72646456) is ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate.
What is the SMILES notation for ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate?
The canonical SMILES for ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate is CCOC(=O)C(=NO)c1ccc(Br)cc1F.
What is the InChIKey of ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate?
The InChIKey is APGYBWDSOGJCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c1-2-16-10(14)9(13-15)7-4-3-6(11)5-8(7)12/h3-5,15H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate?
ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate has a molecular weight of 290.09 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyiminoacetate is sourced from PubChem (CID 72646456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).