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2′-Amino-4-Fluorobenzophenone
CAS: 3800-06-4 | C13H10FNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3800-06-4
Molecular Formula:
C13H10FNO
Molecular Mass:
215.23 g/mol
Names and Synonyms:
2′-Amino-4-Fluorobenzophenone
Methanone, (2-aminophenyl)(4-fluorophenyl)-
Benzophenone, 2-amino-4′-fluoro-
(2-Aminophenyl)(4-fluorophenyl)methanone
o-(p-Fluorobenzoyl)aniline
2-Amino-4′-fluorobenzophenone
2-Aminophenyl 4-fluorophenyl ketone
4′-Fluoro-2-aminobenzophenone
2′-Amino-4-fluorobenzophenone
2-(4-Fluorobenzoyl)aniline
Identifiers:
SMILES:
Nc1ccccc1C(=O)c1ccc(F)cc1
InChI:
InChI=1S/C13H10FNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
Key Properties
Melting Point
127-128 °C @ Solvent: Chloroform
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 215.23 g/mol | CAS Common Chemistry |
| 215.227 g/mol | RDKit | |
| 215.07464216 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(F)C=C1)C=2C=CC=CC2N | CAS Common Chemistry |
| InChI | InChI=1S/C13H10FNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FFFXIQFESQNINT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-128 °C @ Solvent: Chloroform | CAS Common Chemistry |
| Name | 2′-Amino-4-fluorobenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.09 Ų | RDKit |
| LogP | 2.6389000000000005 | RDKit |
| Molar Refractivity | 60.686900000000016 | RDKit |
