ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate

C11H12FNO2 — CID 169480131

IUPACethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(F)cc1N
InChIInChI=1S/C11H12FNO2/c1-2-15-11(14)6-4-8-3-5-9(12)7-10(8)13/h3-7H,2,13H2,1H3
InChIKeyINJXSOXOVWRTGO-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.98
Rot. Bonds3

About ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate

ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate (PubChem CID 169480131) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
PubChem CID169480131
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nameethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(F)cc1N
InChIInChI=1S/C11H12FNO2/c1-2-15-11(14)6-4-8-3-5-9(12)7-10(8)13/h3-7H,2,13H2,1H3
InChIKeyINJXSOXOVWRTGO-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 90656941
ethyl (E)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 23919060
ethyl (E)-3-[2-(2,2-dibromoethenyl)-5-fluorophenyl]prop-2-enoate
CID 102045662
ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
CID 74320921
ethyl 3-(4-acetyl-2-aminophenyl)prop-2-enoate
CID 169480688
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093
ethyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate
CID 57408075
ethyl 3-(2-amino-4-nitrophenyl)prop-2-enoate
CID 169480615
3-(2-amino-4-fluorophenyl)prop-2-enoic acid
CID 169460317
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl (E)-3-[5-fluoro-2-(3-oxobutyl)phenyl]prop-2-enoate
CID 24806982

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate (CID 169480131) is ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(F)cc1N.
What is the InChIKey of ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate?
The InChIKey is INJXSOXOVWRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-15-11(14)6-4-8-3-5-9(12)7-10(8)13/h3-7H,2,13H2,1H3.
What are the key properties of ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate?
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate has a molecular weight of 209.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 169480131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).