methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate

C15H17F2NO3 — CID 54500951

IUPACmethyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
SMILESCOC(=O)C(=NOC1(C)CCCC1)c1c(F)cccc1F
InChIInChI=1S/C15H17F2NO3/c1-15(8-3-4-9-15)21-18-13(14(19)20-2)12-10(16)6-5-7-11(12)17/h5-7H,3-4,8-9H2,1-2H3
InChIKeyYCJLKLVTZPTOMA-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate

methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate (PubChem CID 54500951) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
PubChem CID54500951
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Namemethyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
SMILESCOC(=O)C(=NOC1(C)CCCC1)c1c(F)cccc1F
InChIInChI=1S/C15H17F2NO3/c1-15(8-3-4-9-15)21-18-13(14(19)20-2)12-10(16)6-5-7-11(12)17/h5-7H,3-4,8-9H2,1-2H3
InChIKeyYCJLKLVTZPTOMA-UHFFFAOYSA-N
XLogP3.19
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.19
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

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]butyl]phenyl]acetate
CID 44368959
Methyl 2-diazo-2-(2-fluorophenyl)acetate
CID 73062244
Methyl 2-diazo-2-(4-fluorophenyl)acetate
CID 74073861
Tert-butyl 2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 74080449
Tert-butyl 2-diazo-2-(2-fluorophenyl)acetate
CID 125496707
Tert-butyl 2-diazo-2-(4-fluorophenyl)acetate
CID 135797330
Methyl 2-diazo-2-(3-fluorophenyl)acetate
CID 137292069
Ethyl 2-diazo-2-(4-fluorophenyl)acetate
CID 137300605
Methyl 2-methoxyimino-2-phenylacetate
CID 577152

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The IUPAC name of methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate (CID 54500951) is methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate.
What is the SMILES notation for methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The canonical SMILES for methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate is COC(=O)C(=NOC1(C)CCCC1)c1c(F)cccc1F.
What is the InChIKey of methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The InChIKey is YCJLKLVTZPTOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-15(8-3-4-9-15)21-18-13(14(19)20-2)12-10(16)6-5-7-11(12)17/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate has a molecular weight of 297.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate is sourced from PubChem (CID 54500951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).