methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate

C12H14FNO4 — CID 142801369

IUPACmethyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate
SMILESCOCc1cccc(F)c1/C(=N\OC)C(=O)OC
InChIInChI=1S/C12H14FNO4/c1-16-7-8-5-4-6-9(13)10(8)11(14-18-3)12(15)17-2/h4-6H,7H2,1-3H3/b14-11+
InChIKeyPEJWPVMIMLWHHJ-SDNWHVSQSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds5

About methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate

methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate (PubChem CID 142801369) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate
PubChem CID142801369
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Namemethyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate
SMILESCOCc1cccc(F)c1/C(=N\OC)C(=O)OC
InChIInChI=1S/C12H14FNO4/c1-16-7-8-5-4-6-9(13)10(8)11(14-18-3)12(15)17-2/h4-6H,7H2,1-3H3/b14-11+
InChIKeyPEJWPVMIMLWHHJ-SDNWHVSQSA-N
XLogP1.50
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
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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Related Compounds

methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate
CID 135442571
methyl (2E)-2-[2-(bromomethyl)-6-fluorophenyl]-2-iodoiminoacetate
CID 142801377
methyl (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 157023984
methyl (2E)-2-[2-[[(E)-1-(2-fluoro-6-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024116
[2-(N-methoxy-C-methoxycarbonylcarbonimidoyl)phenyl]methyl 1-(2,6-difluorophenyl)cyclopropane-1-carboxylate
CID 54290508
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
CID 175695991
methyl (2E)-2-[2-[[(E)-1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 173271663
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
methyl 2-fluoro-6-(phenoxymethyl)benzoate
CID 150404224

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate (CID 142801369) is methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate is COCc1cccc(F)c1/C(=N\OC)C(=O)OC.
What is the InChIKey of methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate?
The InChIKey is PEJWPVMIMLWHHJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-16-7-8-5-4-6-9(13)10(8)11(14-18-3)12(15)17-2/h4-6H,7H2,1-3H3/b14-11+.
What are the key properties of methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate?
methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate has a molecular weight of 255.24 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 142801369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).