2-(4-amino-3-fluorophenyl)propanoate

C9H9FNO2- — CID 86609171

IUPAC2-(4-amino-3-fluorophenyl)propanoate
SMILESCC(C(=O)[O-])c1ccc(N)c(F)c1
InChIInChI=1S/C9H10FNO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,11H2,1H3,(H,12,13)/p-1
InChIKeyMIGFEQATPQMYAB-UHFFFAOYSA-M
MW182.17 g/mol
LogP0.26
Rot. Bonds2

About 2-(4-amino-3-fluorophenyl)propanoate

2-(4-amino-3-fluorophenyl)propanoate (PubChem CID 86609171) has the molecular formula C9H9FNO2- and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)propanoate.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)propanoate
PubChem CID86609171
Molecular FormulaC9H9FNO2-
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-(4-amino-3-fluorophenyl)propanoate
SMILESCC(C(=O)[O-])c1ccc(N)c(F)c1
InChIInChI=1S/C9H10FNO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,11H2,1H3,(H,12,13)/p-1
InChIKeyMIGFEQATPQMYAB-UHFFFAOYSA-M
XLogP0.26
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.26
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 2-(4-amino-3-fluorophenyl)propanoate?
The IUPAC name of 2-(4-amino-3-fluorophenyl)propanoate (CID 86609171) is 2-(4-amino-3-fluorophenyl)propanoate.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)propanoate?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)propanoate is CC(C(=O)[O-])c1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)propanoate?
The InChIKey is MIGFEQATPQMYAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10FNO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,11H2,1H3,(H,12,13)/p-1.
What are the key properties of 2-(4-amino-3-fluorophenyl)propanoate?
2-(4-amino-3-fluorophenyl)propanoate has a molecular weight of 182.17 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)propanoate is sourced from PubChem (CID 86609171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).