(3-fluorophenyl) 2-aminoacetate

C8H8FNO2 — CID 57240874

IUPAC(3-fluorophenyl) 2-aminoacetate
SMILESNCC(=O)Oc1cccc(F)c1
InChIInChI=1S/C8H8FNO2/c9-6-2-1-3-7(4-6)12-8(11)5-10/h1-4H,5,10H2
InChIKeyHWVUPEBSURNCTP-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.69
Rot. Bonds2

About (3-fluorophenyl) 2-aminoacetate

(3-fluorophenyl) 2-aminoacetate (PubChem CID 57240874) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is (3-fluorophenyl) 2-aminoacetate.

Molecular Properties

Compound Name(3-fluorophenyl) 2-aminoacetate
PubChem CID57240874
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Name(3-fluorophenyl) 2-aminoacetate
SMILESNCC(=O)Oc1cccc(F)c1
InChIInChI=1S/C8H8FNO2/c9-6-2-1-3-7(4-6)12-8(11)5-10/h1-4H,5,10H2
InChIKeyHWVUPEBSURNCTP-UHFFFAOYSA-N
XLogP0.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-fluorophenyl) 2-aminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) 2-aminoacetate?
The IUPAC name of (3-fluorophenyl) 2-aminoacetate (CID 57240874) is (3-fluorophenyl) 2-aminoacetate.
What is the SMILES notation for (3-fluorophenyl) 2-aminoacetate?
The canonical SMILES for (3-fluorophenyl) 2-aminoacetate is NCC(=O)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) 2-aminoacetate?
The InChIKey is HWVUPEBSURNCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-6-2-1-3-7(4-6)12-8(11)5-10/h1-4H,5,10H2.
What are the key properties of (3-fluorophenyl) 2-aminoacetate?
(3-fluorophenyl) 2-aminoacetate has a molecular weight of 169.15 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) 2-aminoacetate is sourced from PubChem (CID 57240874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).