Back to Search
4-Fluorophenylglycine
CAS: 7292-73-1 | C8H8FNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7292-73-1
Molecular Formula:
C8H8FNO2
Molecular Mass:
169.15 g/mol
Names and Synonyms:
4-Fluorophenylglycine
Benzeneacetic acid, α-amino-4-fluoro-
Glycine, 2-(p-fluorophenyl)-, DL-
Benzeneacetic acid, α-amino-4-fluoro-, (±)-
α-Amino-4-fluorobenzeneacetic acid
DL-2-(p-Fluorophenyl)glycine
DL-α-Amino-p-fluorophenylacetic acid
Glycine, 2-(p-fluorophenyl)-
4-Fluorophenylglycine
NSC 101466
2-Amino-2-(4-fluorophenyl)acetic acid
DL-4-Fluorophenylglycine
α-Amino-4-fluorophenylacetic acid
2-Azaniumyl-2-(4-fluorophenyl)acetate
Identifiers:
SMILES:
NC(C(=O)O)c1ccc(F)cc1
InChI:
InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
Key Properties
Melting Point
270-271 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.15 g/mol | CAS Common Chemistry |
| 169.15499999999997 g/mol | RDKit | |
| 169.053906716 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)C1=CC=C(F)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=JKFYKCYQEWQPTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270-271 °C | CAS Common Chemistry |
| Name | 4-Fluorophenylglycine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.9101000000000001 | RDKit |
| Molar Refractivity | 40.96420000000001 | RDKit |
