ACD/FNMR DB
Technical Information
19F Database Contents
| Type of compounds |
Number of compounds |
Number of shifts,  F |
Number of constants, JFAny |
| Total structures |
14,982 |
31,225 |
24,630 |
| Duplicated structures* |
1,939 |
7,430 |
5,077 |
| Polyfluorine compounds |
11,322 |
26,879 |
17,967 |
| F2-compounds |
2,216 |
3,386 |
4,273 |
| F3-compounds |
2,474 |
3,891 |
3,399 |
| F4-compounds |
1,307 |
3,130 |
2,046 |
| F5-compounds |
812 |
2,622 |
1,770 |
| F6-compounds |
1,411 |
2,814 |
1,812 |
| F7-compounds |
524 |
1,702 |
1,034 |
| F8-compounds |
462 |
1,566 |
899 |
| F9-compounds |
417 |
1,372 |
619 |
| F10-compounds |
327 |
1,184 |
479 |
| F11-compounds |
161 |
662 |
212 |
| F12-compounds |
356 |
887 |
344 |
| F13-compounds |
156 |
673 |
130 |
| F14-compounds |
157 |
680 |
255 |
| F15-compounds |
95 |
404 |
112 |
| F16 and more compounds |
447 |
1,906 |
583 |
| Fluorine containing |
| Aromatic compounds |
6,895 |
13,909 |
11,568 |
Benzenes
|
6,039 |
11,861 |
10,157 |
Styrenes
|
607 |
1,259 |
1,065 |
Phenols
|
92 |
168 |
216 |
Naphthalenes
|
295 |
460 |
626 |
| 6-Membered heterocycles |
638 |
1,113 |
1,462 |
Pyridines
|
309 |
1,026 |
593 |
Quinolines
|
70 |
259 |
206 |
| 5-Membered heterocycles |
943 |
1,808 |
1,910 |
Pyrroles
|
142 |
199 |
235 |
Indoles
|
61 |
79 |
121 |
Furans
|
61 |
101 |
164 |
Benzofurans
|
15 |
27 |
19 |
Dibenzofurans
|
4 |
13 |
0 |
Dibenzofurans
|
89 |
121 |
219 |
Dibenzofurans
|
1 |
1 |
1 |
Dibenzofurans
|
3 |
10 |
6 |
| With functional groups |
| Carboxylic acids |
309 |
514 |
484 |
| Acids fluorides |
202 |
570 |
216 |
| Esters |
1,678 |
2,472 |
3,254 |
| Trifluoroacetic acid esters |
54 |
89 |
52 |
| Aldehydes |
98 |
146 |
151 |
| Ketones |
897 |
1,721 |
1,691 |
| Trifluoroacetyl derivatives |
242 |
489 |
230 |
| Trifluoromethyl derivatives |
5,486 |
12,529 |
7,576 |
| Alcohols |
1,243 |
1,961 |
2,593 |
| Ethers |
2,091 |
4,629 |
3,826 |
| Alkynes |
173 |
295 |
227 |
| Monosubstituted ethylenes |
188 |
323 |
501 |
| 1,1-Disubstituted ethylenes |
140 |
216 |
308 |
| 1,1-Difluoroethylenes |
121 |
359 |
237 |
| 1,2-Disubstituted ethylenes |
446 |
745 |
720 |
| 1,2-Difluoroethylenes |
335 |
1,230 |
561 |
| Trisubstituted ethylenes |
599 |
1,028 |
1,142 |
| Trifluoroethylenes |
80 |
310 |
307 |
| Tetrasubstituted ethylenes |
650 |
1,763 |
1,386 |
| Cyclic compounds |
Cyclopropanes
|
353 |
637 |
906 |
Cyclobutanes
|
253 |
721 |
453 |
Cyclopentanes
|
447 |
857 |
787 |
Norbornanes
|
79 |
165 |
105 |
Cyclohexanes
|
930 |
1,633 |
1,426 |
Adamantanes
|
71 |
83 |
203 |
Oxiranes
|
60 |
77 |
142 |
Aziridines
|
52 |
114 |
25 |
*- spectra of these structures are collected from different literature sources (some of them are registered in different solvents).
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