methyl 2-[1-(4-fluorophenyl)ethylimino]acetate

C11H12FNO2 — CID 139818848

IUPACmethyl 2-[1-(4-fluorophenyl)ethylimino]acetate
SMILESCOC(=O)/C=N/C(C)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-8(13-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b13-7+
InChIKeyFRZKCJZQWROUEY-NTUHNPAUSA-N
MW209.22 g/mol
LogP2.13
Rot. Bonds3

About methyl 2-[1-(4-fluorophenyl)ethylimino]acetate

methyl 2-[1-(4-fluorophenyl)ethylimino]acetate (PubChem CID 139818848) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is methyl 2-[1-(4-fluorophenyl)ethylimino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-fluorophenyl)ethylimino]acetate
PubChem CID139818848
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namemethyl 2-[1-(4-fluorophenyl)ethylimino]acetate
SMILESCOC(=O)/C=N/C(C)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-8(13-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b13-7+
InChIKeyFRZKCJZQWROUEY-NTUHNPAUSA-N
XLogP2.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, ((1-phenylethyl)imino)-, ethyl ester, (S)-
CID 11469797
(R)-(+)-1-(4-Fluorophenyl)ethyl isocyanate
CID 7018263
(S)-(-)-1-(4-Fluorophenyl)ethyl isocyanate
CID 7018264
ethyl 3,3,3-trifluoro-2-[(1S)-1-phenylethyl]iminopropanoate
CID 24809216
Methyl (2E)-[(diphenylmethyl)imino]acetate
CID 12624354
3,3,3-Trifluoro-2-(1-phenyl-ethylimino)-propionic acid ethyl ester
CID 10945611
N-benzyl-2-methoxy-2-oxoethanimine oxide
CID 10921382
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
Butyl 2-benzhydryliminoacetate
CID 10935313
Tert-butyl 2-benzhydryliminoacetate
CID 11335413
Acetic acid, [(phenylmethyl)imino]-, ethyl ester
CID 11344516
ethyl (2E)-[(diphenylmethyl)imino]ethanoate
CID 11402900

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-fluorophenyl)ethylimino]acetate?
The IUPAC name of methyl 2-[1-(4-fluorophenyl)ethylimino]acetate (CID 139818848) is methyl 2-[1-(4-fluorophenyl)ethylimino]acetate.
What is the SMILES notation for methyl 2-[1-(4-fluorophenyl)ethylimino]acetate?
The canonical SMILES for methyl 2-[1-(4-fluorophenyl)ethylimino]acetate is COC(=O)/C=N/C(C)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[1-(4-fluorophenyl)ethylimino]acetate?
The InChIKey is FRZKCJZQWROUEY-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-8(13-7-11(14)15-2)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b13-7+.
What are the key properties of methyl 2-[1-(4-fluorophenyl)ethylimino]acetate?
methyl 2-[1-(4-fluorophenyl)ethylimino]acetate has a molecular weight of 209.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-fluorophenyl)ethylimino]acetate is sourced from PubChem (CID 139818848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).