(2-fluorophenyl) 2-aminoacetate

C8H8FNO2 — CID 54234979

IUPAC(2-fluorophenyl) 2-aminoacetate
SMILESNCC(=O)Oc1ccccc1F
InChIInChI=1S/C8H8FNO2/c9-6-3-1-2-4-7(6)12-8(11)5-10/h1-4H,5,10H2
InChIKeyQLWYYSOTBJMVFQ-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.69
Rot. Bonds2

About (2-fluorophenyl) 2-aminoacetate

(2-fluorophenyl) 2-aminoacetate (PubChem CID 54234979) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is (2-fluorophenyl) 2-aminoacetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-aminoacetate
PubChem CID54234979
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Name(2-fluorophenyl) 2-aminoacetate
SMILESNCC(=O)Oc1ccccc1F
InChIInChI=1S/C8H8FNO2/c9-6-3-1-2-4-7(6)12-8(11)5-10/h1-4H,5,10H2
InChIKeyQLWYYSOTBJMVFQ-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'}

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Related Compounds

2-Phenoxyethanamine
CID 15651
3-Fluorophenyl acetate
CID 136542
3-(4-Fluorophenoxy)propan-1-amine
CID 14025825
(E)-3-fluoro-4-phenoxybut-2-en-1-amine
CID 42624010
(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine
CID 42624093
4-Fluorophenyl acetate
CID 136253
4-(4-Fluorophenoxy)butan-1-amine
CID 7131478
Phenyl fluoroacetate
CID 9829
2-(2-Fluorophenoxy)ethanamine
CID 2106899
(2-Aminoethoxy)benzene hydrochloride
CID 458500
1-(2-Aminopropoxy)-2,4-difluorobenzene
CID 16789030
2-(4-Fluorophenoxy)ethanamine
CID 3135849

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-aminoacetate?
The IUPAC name of (2-fluorophenyl) 2-aminoacetate (CID 54234979) is (2-fluorophenyl) 2-aminoacetate.
What is the SMILES notation for (2-fluorophenyl) 2-aminoacetate?
The canonical SMILES for (2-fluorophenyl) 2-aminoacetate is NCC(=O)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-aminoacetate?
The InChIKey is QLWYYSOTBJMVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-6-3-1-2-4-7(6)12-8(11)5-10/h1-4H,5,10H2.
What are the key properties of (2-fluorophenyl) 2-aminoacetate?
(2-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 (2-fluorophenyl) 2-aminoacetate is sourced from PubChem (CID 54234979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).