ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate

C16H19ClFNO3 — CID 88612337

IUPACethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
SMILESCCOC(=O)/C(=N\OC1(C)CCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFNO3/c1-3-21-15(20)14(13-11(17)7-6-8-12(13)18)19-22-16(2)9-4-5-10-16/h6-8H,3-5,9-10H2,1-2H3/b19-14-
InChIKeyDFRGVGKNENHPDL-RGEXLXHISA-N
MW327.78 g/mol
LogP4.10
Rot. Bonds5

About ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate

ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate (PubChem CID 88612337) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
PubChem CID88612337
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Nameethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate
SMILESCCOC(=O)/C(=N\OC1(C)CCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFNO3/c1-3-21-15(20)14(13-11(17)7-6-8-12(13)18)19-22-16(2)9-4-5-10-16/h6-8H,3-5,9-10H2,1-2H3/b19-14-
InChIKeyDFRGVGKNENHPDL-RGEXLXHISA-N
XLogP4.10
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate (CID 88612337) is ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate is CCOC(=O)/C(=N\OC1(C)CCCC1)c1c(F)cccc1Cl.
What is the InChIKey of ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
The InChIKey is DFRGVGKNENHPDL-RGEXLXHISA-N. The full InChI is InChI=1S/C16H19ClFNO3/c1-3-21-15(20)14(13-11(17)7-6-8-12(13)18)19-22-16(2)9-4-5-10-16/h6-8H,3-5,9-10H2,1-2H3/b19-14-.
What are the key properties of ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate?
ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate has a molecular weight of 327.78 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetate is sourced from PubChem (CID 88612337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).