![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
K8F : Summary
Code ![](/pdbe/static/images/help.png)
|
K8F
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C12 H17 F2 N3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
241.28 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
Cc1cc(nc(N)c1)CCCN1CC(F)(F)C1 |
SMILES
|
CACTVS |
3.385 |
Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1cc(nc(c1)N)CCCN2CC(C2)(F)F |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1cc(nc(c1)N)CCCN2CC(C2)(F)F |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H17F2N3/c1-9-5-10(16-11(15)6-9)3-2-4-17-7-12(13,14)8-17/h5-6H,2-4,7-8H2,1H3,(H2,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VXUPTLRCBSMECG-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
34 (17 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
non-polymer
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2022-02-03
|
Last modified at ![](/pdbe/static/images/help.png)
|
2022-07-08
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|