methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate

C13H16FNO3 — CID 22628593

IUPACmethyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
SMILESCOC(=O)/C(=N\OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-13(2,3)18-15-11(12(16)17-4)9-7-5-6-8-10(9)14/h5-8H,1-4H3/b15-11-
InChIKeyORCRCMQGJCRHBI-PTNGSMBKSA-N
MW253.27 g/mol
LogP2.52
Rot. Bonds3

About methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate

methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate (PubChem CID 22628593) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
PubChem CID22628593
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namemethyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
SMILESCOC(=O)/C(=N\OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-13(2,3)18-15-11(12(16)17-4)9-7-5-6-8-10(9)14/h5-8H,1-4H3/b15-11-
InChIKeyORCRCMQGJCRHBI-PTNGSMBKSA-N
XLogP2.52
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.52
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

2-(Hydroxyimino)-3-(4-flurophenyl)propanoic acid
CID 127046270
3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-one
CID 53425269
methyl (2E)-2-methoxyimino-2-[2-[(1E,3E)-4-[2-(trifluoromethyl)phenyl]buta-1,3-dienyl]phenyl]acetate
CID 44368851
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
methyl (2E)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]buta-1,3-diynyl]phenyl]acetate
CID 10691467
methyl (2Z)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]buta-1,3-diynyl]phenyl]acetate
CID 10762649
methyl (2E)-2-methoxyimino-2-[2-[(E)-4-[2-(trifluoromethyl)phenyl]but-1-en-3-ynyl]phenyl]acetate
CID 44368805
methyl (2E)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetate
CID 44368959
methyl (2Z)-2-hydroxyimino-2-[3-[(Z)-N-hydroxy-C-methoxycarbonylcarbonimidoyl]phenyl]acetate
CID 44446348
Methyl 2-diazo-2-(2-fluorophenyl)acetate
CID 73062244
4-(Trifluoromethyl)phenyldiazoacetic acid methyl ester
CID 73115612
Methyl 2-diazo-2-(4-fluorophenyl)acetate
CID 74073861

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate?
The IUPAC name of methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate (CID 22628593) is methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate.
What is the SMILES notation for methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate?
The canonical SMILES for methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate is COC(=O)/C(=N\OC(C)(C)C)c1ccccc1F.
What is the InChIKey of methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate?
The InChIKey is ORCRCMQGJCRHBI-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-13(2,3)18-15-11(12(16)17-4)9-7-5-6-8-10(9)14/h5-8H,1-4H3/b15-11-.
What are the key properties of methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate?
methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate has a molecular weight of 253.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxyimino]acetate is sourced from PubChem (CID 22628593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).