Structure Database (LMSD)
Common Name
(+/-)N-(2-fluoro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Systematic Name
(+/-)N-(2-fluoro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Synonyms
- (+/-)-2,16,16-trimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethyamine
3D model of (+/-)N-(2-fluoro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
GNIZQTFYBNNAMS-RIMQKTDKSA-N
InChi (Click to copy)
InChI=1S/C27H46FNO/c1-5-6-7-18-21-27(3,4)22-19-16-14-12-10-8-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h8-9,12-15,19,22,25H,5-7,10-11,16-18,20-21,23-24H2,1-4H3,(H,29,30)/b9-8-,14-12-,15-13-,22-19-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C(C)(C)CCCCCC)=C/C/C=C\CCC(C)C(=O)NCCF
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
488.32
Topological Polar Surface Area
29.10
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.45
Molar Refractivity
131.31
Admin
Created at
-
Updated at
9th Apr 2021