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Molecule
(2-Fluorophenyl)Glycine
CAS: 2343-27-3 · C8H8FNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2343-27-3
- Molecular Formula
- C8H8FNO2
- Molecular Mass
- 169.15 g/mol
Identifiers
CAS Registry Number
2343-27-3
SMILES
NC(C(=O)O)c1ccccc1F
InChI Key
CGNMJIBUVDGMIY-UHFFFAOYSA-N
InChI
InChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
Names and Synonyms
- (2-Fluorophenyl)Glycine Common Name
- Benzeneacetic acid, α-amino-2-fluoro- Synonym
- Benzeneacetic acid, α-amino-2-fluoro-, (±)- Synonym
- α-Amino-2-fluorobenzeneacetic acid Synonym
- 2-(o-Fluorophenyl)glycine Synonym
- (2-Fluorophenyl)glycine Synonym
- 2-Fluoro-DL-phenylglycine Synonym
- 2-Amino-2-(2-fluorophenyl)acetic acid Synonym
- 2-(2-FluorophenyL)glycine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.15 g/mol | CAS Common Chemistry |
| 169.15499999999997 g/mol | RDKit | |
| 169.155 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)C=1C=CC=CC1F | CAS Common Chemistry |
| InChI | InChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=CGNMJIBUVDGMIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (2-Fluorophenyl)glycine | 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 |
| 63.32 Ų | RDKit | |
| LogP | 0.9100999999999999 | RDKit |
| 0.9101 | RDKit | |
| Molar Refractivity | 40.96420000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 169.053906716 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 169.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8FNO2.
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Benzoic acid, 3-amino-2-fluoro-, methyl ester
CAS 1195768-18-3
4-Fluorophenylglycine
CAS 7292-73-1
Α-Amino-3-Fluorobenzeneacetic Acid
CAS 7292-74-2
Benzoic acid, 3-amino-5-fluoro-, methyl ester
CAS 884497-46-5
