ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate

C16H22FNO3 — CID 90825205

IUPACethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate
SMILESCCOC(=O)/C(=N\CC(CC)OCC)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-4-14(20-5-2)11-18-15(16(19)21-6-3)12-7-9-13(17)10-8-12/h7-10,14H,4-6,11H2,1-3H3/b18-15-
InChIKeyJPEIEOZVFCFQTG-SDXDJHTJSA-N
MW295.35 g/mol
LogP2.99
Rot. Bonds8

About ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate

ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate (PubChem CID 90825205) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate
PubChem CID90825205
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nameethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate
SMILESCCOC(=O)/C(=N\CC(CC)OCC)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-4-14(20-5-2)11-18-15(16(19)21-6-3)12-7-9-13(17)10-8-12/h7-10,14H,4-6,11H2,1-3H3/b18-15-
InChIKeyJPEIEOZVFCFQTG-SDXDJHTJSA-N
XLogP2.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5(2H)-Oxazolone, 4-phenyl-2-(trifluoromethyl)-
CID 2740931
Ethyl 2-[(diphenylmethylidene)amino]-5,5,6,6,7,7,8,8,8-nonafluorooctanoate
CID 14369844
methyl (Z)-12-[(4-fluorophenyl)methylideneamino]octadec-9-enoate
CID 118714913
Tert-butyl 2-diazo-2-(2-fluorophenyl)acetate
CID 125496707
Tert-butyl 2-diazo-2-(4-fluorophenyl)acetate
CID 135797330
Ethyl 2-diazo-2-(4-fluorophenyl)acetate
CID 137300605
ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
CID 56601405
ethyl 6-fluoro-3,3-dimethyl-4H-isoquinoline-1-carboxylate
CID 102279983
(2S)-2-(azidomethyl)-5-(4-fluorophenyl)-2,3-dihydro-1,4-oxazin-6-one
CID 102340546
Ethyl 2-diazo-2-(2-fluorophenyl)acetate
CID 125472212
propan-2-yl (3R)-4,4,5,5,6,6,6-heptafluoro-3-(1-phenylethylideneamino)hexanoate
CID 134870657
Ethyl 7-fluoro-3,4-dihydroisoquinoline-1-carboxylate
CID 134986888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate (CID 90825205) is ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate is CCOC(=O)/C(=N\CC(CC)OCC)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate?
The InChIKey is JPEIEOZVFCFQTG-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-4-14(20-5-2)11-18-15(16(19)21-6-3)12-7-9-13(17)10-8-12/h7-10,14H,4-6,11H2,1-3H3/b18-15-.
What are the key properties of ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate?
ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate has a molecular weight of 295.35 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxybutylimino)-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 90825205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).