ethyl 3-(3-amino-5-fluorophenyl)propanoate

C11H14FNO2 — CID 170909551

IUPACethyl 3-(3-amino-5-fluorophenyl)propanoate
SMILESCCOC(=O)CCc1cc(N)cc(F)c1
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4,13H2,1H3
InChIKeyKWTBWPQOWAHWOR-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.90
Rot. Bonds4

About ethyl 3-(3-amino-5-fluorophenyl)propanoate

ethyl 3-(3-amino-5-fluorophenyl)propanoate (PubChem CID 170909551) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl 3-(3-amino-5-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-amino-5-fluorophenyl)propanoate
PubChem CID170909551
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Nameethyl 3-(3-amino-5-fluorophenyl)propanoate
SMILESCCOC(=O)CCc1cc(N)cc(F)c1
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4,13H2,1H3
InChIKeyKWTBWPQOWAHWOR-UHFFFAOYSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3,5-difluorophenyl)propanoate
CID 15209345
ethyl 3-(3-fluoro-5-methylphenyl)propanoate
CID 79018311
ethyl 3-(3-ethoxy-3-oxopropyl)-5-fluorobenzoate
CID 134645106
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoate
CID 19962355
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)-hydroxymethyl]phenyl]propanoate
CID 19962357
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
(3,5-difluorophenyl)methyl 3-(4-aminophenyl)propanoate
CID 105407572
ethyl 3-[3-(3-amino-3-oxopropyl)-5-(4-fluorophenoxy)phenyl]propanoate
CID 139720628
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
CID 114732712
ethyl 3-(3-ethenyl-4,5-difluorophenyl)propanoate
CID 57470571
propyl 3-(3,5-dimethylphenyl)propanoate
CID 173270360

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-amino-5-fluorophenyl)propanoate?
The IUPAC name of ethyl 3-(3-amino-5-fluorophenyl)propanoate (CID 170909551) is ethyl 3-(3-amino-5-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-(3-amino-5-fluorophenyl)propanoate?
The canonical SMILES for ethyl 3-(3-amino-5-fluorophenyl)propanoate is CCOC(=O)CCc1cc(N)cc(F)c1.
What is the InChIKey of ethyl 3-(3-amino-5-fluorophenyl)propanoate?
The InChIKey is KWTBWPQOWAHWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7H,2-4,13H2,1H3.
What are the key properties of ethyl 3-(3-amino-5-fluorophenyl)propanoate?
ethyl 3-(3-amino-5-fluorophenyl)propanoate has a molecular weight of 211.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-amino-5-fluorophenyl)propanoate is sourced from PubChem (CID 170909551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).