ethyl 2-(2-fluoro-4-nitrophenoxy)acetate

C10H10FNO5 — CID 43259205

IUPACethyl 2-(2-fluoro-4-nitrophenoxy)acetate
SMILESCCOC(=O)COc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H10FNO5/c1-2-16-10(13)6-17-9-4-3-7(12(14)15)5-8(9)11/h3-5H,2,6H2,1H3
InChIKeyZUZIMRHYSJZLEV-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.68
Rot. Bonds5

About ethyl 2-(2-fluoro-4-nitrophenoxy)acetate

ethyl 2-(2-fluoro-4-nitrophenoxy)acetate (PubChem CID 43259205) has the molecular formula C10H10FNO5 and a molecular weight of 243.19 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-4-nitrophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-4-nitrophenoxy)acetate
PubChem CID43259205
Molecular FormulaC10H10FNO5
Molecular Weight243.19 g/mol
Exact Mass243.05
IUPAC Nameethyl 2-(2-fluoro-4-nitrophenoxy)acetate
SMILESCCOC(=O)COc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H10FNO5/c1-2-16-10(13)6-17-9-4-3-7(12(14)15)5-8(9)11/h3-5H,2,6H2,1H3
InChIKeyZUZIMRHYSJZLEV-UHFFFAOYSA-N
XLogP1.68
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 12678067
ethyl 4-[2-(2-fluoro-4-nitrophenoxy)acetyl]piperazine-1-carboxylate
CID 46484700
ethyl 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 43472951
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
1-O-ethyl 4-O-(2-fluoro-4-nitrophenyl) (2S)-2-(nitromethyl)butanedioate
CID 177445686
1-(2,2-diethoxyethoxy)-2-fluoro-4-nitrobenzene
CID 63630430
1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one
CID 61038327
ethyl 2-[2-(4-methylpiperazin-1-yl)-5-nitrophenoxy]acetate
CID 71053653
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
1-O-ethyl 4-O-[(2-fluoro-5-nitrophenyl)methyl] butanedioate
CID 91702423
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-4-nitrophenoxy)acetate?
The IUPAC name of ethyl 2-(2-fluoro-4-nitrophenoxy)acetate (CID 43259205) is ethyl 2-(2-fluoro-4-nitrophenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-fluoro-4-nitrophenoxy)acetate?
The canonical SMILES for ethyl 2-(2-fluoro-4-nitrophenoxy)acetate is CCOC(=O)COc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of ethyl 2-(2-fluoro-4-nitrophenoxy)acetate?
The InChIKey is ZUZIMRHYSJZLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO5/c1-2-16-10(13)6-17-9-4-3-7(12(14)15)5-8(9)11/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(2-fluoro-4-nitrophenoxy)acetate?
ethyl 2-(2-fluoro-4-nitrophenoxy)acetate has a molecular weight of 243.19 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-4-nitrophenoxy)acetate is sourced from PubChem (CID 43259205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).