ethyl 2-(4-amino-3-fluorophenyl)acetate

C10H12FNO2 — CID 59760056

IUPACethyl 2-(4-amino-3-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(N)c(F)c1
InChIInChI=1S/C10H12FNO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6,12H2,1H3
InChIKeyAAWAAHRUIJUXCO-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.51
Rot. Bonds3

About ethyl 2-(4-amino-3-fluorophenyl)acetate

ethyl 2-(4-amino-3-fluorophenyl)acetate (PubChem CID 59760056) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-fluorophenyl)acetate
PubChem CID59760056
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Nameethyl 2-(4-amino-3-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(N)c(F)c1
InChIInChI=1S/C10H12FNO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6,12H2,1H3
InChIKeyAAWAAHRUIJUXCO-UHFFFAOYSA-N
XLogP1.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(4-amino-3-fluorophenyl)acetate (CID 59760056) is ethyl 2-(4-amino-3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(4-amino-3-fluorophenyl)acetate is CCOC(=O)Cc1ccc(N)c(F)c1.
What is the InChIKey of ethyl 2-(4-amino-3-fluorophenyl)acetate?
The InChIKey is AAWAAHRUIJUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6,12H2,1H3.
What are the key properties of ethyl 2-(4-amino-3-fluorophenyl)acetate?
ethyl 2-(4-amino-3-fluorophenyl)acetate has a molecular weight of 197.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-fluorophenyl)acetate is sourced from PubChem (CID 59760056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).