2-(2-fluorophenyl)-2-(methylamino)cyclohexanone
C13H16FNO | 221.275 | CNC1(CCCCC1=O)C2=CC=CC=C2F
0   HEADER BLOCK: PubChem CID13771618
1   HEADER BLOCK: PubChem Info -OEChem-09261722322D
2   HEADER BLOCK: Comment line
3   CONNECTION TABLE (CTAB)-counts line: number of atoms, bonds, and atom lists, the chiral flag setting, and the Ctab version 32 33 0 1 0 0 0 0 0999 V2000
4   CTAB: Atom block: x,y,z coordinates; atomic symbol, any mass difference, charge, stereochemistry, and associated hydrogens for each atom. 5.6114 -0.8192 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5   2.0000 -0.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6   3.2320 0.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7   3.7320 -0.1352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8   4.5981 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9   4.5981 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10   3.7320 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11   2.8660 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12   2.8660 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13   4.4981 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14   5.4378 0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15   4.3244 1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16   2.2320 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17   6.2038 0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18   5.0905 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19   6.0302 1.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20   5.2087 -0.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21   4.8101 -0.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
22   4.8101 -2.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
23   5.2087 -1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
24   3.3335 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
25   4.1306 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
26   2.2554 -1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
27   2.6540 -2.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
28   3.3397 1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
29   3.7418 1.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
30   2.2320 1.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
31   1.6120 0.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
32   2.2320 0.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
33   6.7864 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
34   4.9828 2.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
35   6.5051 2.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
36   CTAB: Bond block: two atoms connected by the bond, the bond type, and any bond stereochemistry and topology (chain or ring properties) for each bond. 1 11 1 0 0 0 0
37   2 8 2 0 0 0 0
38   3 4 1 0 0 0 0
39   3 13 1 0 0 0 0
40   3 25 1 0 0 0 0
41   4 5 1 0 0 0 0
42   4 8 1 0 0 0 0
43   4 10 1 0 0 0 0
44   5 6 1 0 0 0 0
45   5 17 1 0 0 0 0
46   5 18 1 0 0 0 0
47   6 7 1 0 0 0 0
48   6 19 1 0 0 0 0
49   6 20 1 0 0 0 0
50   7 9 1 0 0 0 0
51   7 21 1 0 0 0 0
52   7 22 1 0 0 0 0
53   8 9 1 0 0 0 0
54   9 23 1 0 0 0 0
55   9 24 1 0 0 0 0
56   10 11 1 0 0 0 0
57   10 12 2 0 0 0 0
58   11 14 2 0 0 0 0
59   12 15 1 0 0 0 0
60   12 26 1 0 0 0 0
61   13 27 1 0 0 0 0
62   13 28 1 0 0 0 0
63   13 29 1 0 0 0 0
64   14 16 1 0 0 0 0
65   14 30 1 0 0 0 0
66   15 16 2 0 0 0 0
67   15 31 1 0 0 0 0
68   16 32 1 0 0 0 0
69   CTAB: Properties block: the charges, radicals etc.M END
F1-C11O2=C8O2=C8N3-C4N3-C13N3-H25C4-C5C4-C8C4-C10C5-C6C6-C7C7-C9C8-C9C10-C11C10=C12C10=C12C11=C14C11=C14C12-C15C14-C16C15=C16C15=C16F1F1FO2O2ON3N3NC4C5C6C7C8C9C10C11C12C13C14C15C16H25H25H
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